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2D Structure
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

2D Structure

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