CAS 376592-58-4

Chemistry, 3 End Use API, 14 Related Intermediates

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

Also known as: 376592-58-4, 3-(5-chloro-2-hydroxy-3-nitrophenyl)benzoic acid, Ln3aff6ly4, 5'-chloro-2'-hydroxy-3'-nitro-(1,1'-biphenyl)-3-carboxylic acid, 5'-chloro-2'-hydroxy-3'-nitro[1,1'-biphenyl]-3-carboxylic acid, 5'-chloro-2'-hydroxy-3'-nitro(1,1'-biphenyl)-3-carboxylic acid

Molecular Formula

C₁₃H₈ClNO₅

Molecular Weight

293.66 g/mol

InChI Key

PGNTVCRTPYDGRN-UHFFFAOYSA-N

FDA UNII

LN3AFF6LY4

1 2D Structure

CAS 376592-58-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(5-chloro-2-hydroxy-3-nitrophenyl)benzoic acid

2.1.2 InChI

InChI=1S/C13H8ClNO5/c14-9-5-10(12(16)11(6-9)15(19)20)7-2-1-3-8(4-7)13(17)18/h1-6,16H,(H,17,18)

2.1.3 InChI Key

PGNTVCRTPYDGRN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC(=C2)Cl)[N+](=O)[O-])O

2.2 Other Identifiers

2.2.1 UNII

LN3AFF6LY4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 376592-58-4

2. 3-(5-chloro-2-hydroxy-3-nitrophenyl)benzoic Acid

3. Ln3aff6ly4

4. 5'-chloro-2'-hydroxy-3'-nitro-(1,1'-biphenyl)-3-carboxylic Acid

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

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

7. Unii-ln3aff6ly4

8. Amy804

9. Schembl2404465

10. Dtxsid30610510

11. 5'-chloro-2'-hydroxy-3'-nitro-[1,1'-biphenyl]-3-carboxylicacid

12. Bcp14188

13. Cs-b0771

14. Mfcd13184302

15. Zinc36377904

16. Akos016004357

17. Ds-3721

18. Ac-30854

19. Db-069582

20. Ft-0654505

21. F11837

22. A823812

23. 3-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)benzoic Acid

24. [1,1'-biphenyl]-3-carboxylic Acid,5'-chloro-2'-hydroxy-3'-nitro-

25. 5'-chloro-2'-hydoxy-3'-nitro-(1,1'-biphenyl)-3-carboxylic Acid

26. [1,1'-biphenyl]-3-carboxylic Acid, 5'-chloro-2'-hydroxy-3'-nitro-

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₈ClNO₅
Molecular Weight	293.66 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	293.0091000 g/mol
Monoisotopic Mass	293.0091000 g/mol
Topological Polar Surface Area	103 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1