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CAS 376592-57-3
Also known as: 376592-57-3, 3-(5-chloro-2-hydroxyphenyl)benzoic acid, Z227a9r26s, 5'-chloro-2'-hydroxy[1,1'-biphenyl]-3-carboxylic acid, 5'-chloro-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid,, 5'-chloro-2'-hydroxy(1,1'-biphenyl)-3-carboxylic acid
Molecular Formula
C13H9ClO3
Molecular Weight
248.66  g/mol
InChI Key
ODGCLNKGAPCIAE-UHFFFAOYSA-N
FDA UNII
Z227A9R26S

1 2D Structure

CAS 376592-57-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(5-chloro-2-hydroxyphenyl)benzoic acid
2.1.2 InChI
InChI=1S/C13H9ClO3/c14-10-4-5-12(15)11(7-10)8-2-1-3-9(6-8)13(16)17/h1-7,15H,(H,16,17)
2.1.3 InChI Key
ODGCLNKGAPCIAE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)C(=O)O)C2=C(C=CC(=C2)Cl)O
2.2 Other Identifiers
2.2.1 UNII
Z227A9R26S
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 376592-57-3

2. 3-(5-chloro-2-hydroxyphenyl)benzoic Acid

3. Z227a9r26s

4. 5'-chloro-2'-hydroxy[1,1'-biphenyl]-3-carboxylic Acid

5. 5'-chloro-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic Acid,

6. 5'-chloro-2'-hydroxy(1,1'-biphenyl)-3-carboxylic Acid

7. Unii-z227a9r26s

8. Schembl2406313

9. 5'-chloro-2'-hydroxy-[1,1'-biphenyl]-3-carboxylicacid

10. Dtxsid90610511

11. Amy30040

12. Cs-b0770

13. Mfcd23135364

14. Zinc82048791

15. Db-123926

16. F11836

17. [1,1'-biphenyl]-3-carboxylic Acid,5'-chloro-2'-hydroxy-

18. [1,1'-biphenyl]-3-carboxylic Acid, 5'-chloro-2'-hydroxy-

19. 5-chloro-2-hydroxy-[1,1-biphenyl]-3-carboxylic Acid,

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 248.66 g/mol
Molecular Formula C13H9ClO3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass248.0240218 g/mol
Monoisotopic Mass248.0240218 g/mol
Topological Polar Surface Area57.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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376592-93-7
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Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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18048-64-1
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Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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376592-58-4
Eltrombopag
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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277299-70-4
Eltrombopag
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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