CAS 7499-07-2

Interquim comes from an international group of 50 companies active in the pharma, hospital, diagnostics, fine chemicals & feed sectors.

Virtual Booth

Contact Supplier

Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

3 Suppliers

3 Suppliers

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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 Formula	C₈H₇ClO₂
Molecular Weight	170.59 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	170.0134572 g/mol
Monoisotopic Mass	170.0134572 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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

BUILDING BLOCK

Upload your portfolio for free, ask us

SUPPLIERS

Only 10 entries up to this point, click to access all

CAS 7499-07-2 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

3 Suppliers

What are you looking for?