CAS 132794-07-1

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Also known as: 132794-07-1, 2,5-difluoro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-2,5-difluoro-, 4-chloro-2,5-difluorobenzoicacid, 4-chloro-2,5-difluorobenzoic acid;, 4-chloro-2,5-difluoro-benzoic acid

Molecular Formula

C₇H₃ClF₂O₂

Molecular Weight

192.55 g/mol

InChI Key

PEPCYJSDHYMIFN-UHFFFAOYSA-N

1 2D Structure

CAS 132794-07-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-2,5-difluorobenzoic acid

2.1.2 InChI

InChI=1S/C7H3ClF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)

2.1.3 InChI Key

PEPCYJSDHYMIFN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=CC(=C1F)Cl)F)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 132794-07-1

2. 2,5-difluoro-4-chlorobenzoic Acid

3. Benzoic Acid, 4-chloro-2,5-difluoro-

4. 4-chloro-2,5-difluorobenzoicacid

5. 4-chloro-2,5-difluorobenzoic Acid;

6. 4-chloro-2,5-difluoro-benzoic Acid

7. Schembl223134

8. Dtxsid40369825

9. Zinc396125

10. Act12170

11. 2,5-difluoro-4-chloro-benzoic Acid

12. 2.5-difluoro-4-chloro-benzoic Acid

13. 4-chloro-2,5-difluoro Benzoic Acid

14. Mfcd00077480

15. Akos005063903

16. Am62552

17. Ac-26018

18. As-62575

19. 4-chloro-2,5-difluorobenzoic Acid, 98%

20. Db-042136

21. A2807

22. Cs-0020037

23. Ft-0617999

24. 5,7-dihydroxy-3,3,4,5-tetramethoxyflavone

25. J-006224

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₃ClF₂O₂
Molecular Weight	192.55 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	191.9789634 g/mol
Monoisotopic Mass	191.9789634 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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