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CAS 7499-07-2 manufacturers and suppliers on PharmaCompass

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  • Chemistry
CAS 7499-07-2
Also known as: 7499-07-2, 4-chloro-2-methylbenzoicacid, Benzoic acid, 4-chloro-2-methyl-, 4-chloro-o-toluic acid, 2-methyl-4-chlorobenzoic acid, Mfcd00045852
Molecular Formula
C8H7ClO2
Molecular Weight
170.59  g/mol
InChI Key
XXFKOBGFMUIWDH-UHFFFAOYSA-N

1 2D Structure

CAS 7499-07-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-2-methylbenzoic acid
2.1.2 InChI
InChI=1S/C8H7ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
2.1.3 InChI Key
XXFKOBGFMUIWDH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC(=C1)Cl)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 7499-07-2

2. 4-chloro-2-methylbenzoicacid

3. Benzoic Acid, 4-chloro-2-methyl-

4. 4-chloro-o-toluic Acid

5. 2-methyl-4-chlorobenzoic Acid

6. Mfcd00045852

7. 4-chloro-2-methyl-benzoic Acid

8. Nsc407521

9. O-toluic Acid, 4-chloro-

10. Schembl109654

11. Dtxsid60324678

12. Zinc160567

13. Act07373

14. Cl8113

15. 4-chloro-2-methylbenzoic Acid, 96%

16. Akos005258514

17. Ac-9040

18. Cs-w008346

19. Fs-1530

20. Nsc 407521

21. Nsc-407521

22. Sy017097

23. Db-011427

24. Am20060096

25. Ft-0636510

26. Ae-842/31479031

27. J-514969

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 170.59 g/mol
Molecular Formula C8H7ClO2
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass170.0134572 g/mol
Monoisotopic Mass170.0134572 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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