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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

CAS 376592-57-3
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

BUILDING BLOCK

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