CAS 79669-49-1

Chemistry, 1 End Use API, 34 Related Intermediates

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Also known as: 79669-49-1, 2-methyl-5-bromobenzoic acid, 5-bromo-o-toluic acid, 5-bromo-2-methyl benzoic acid, Benzoic acid, 5-bromo-2-methyl-, Mfcd00267350

Molecular Formula

C₈H₇BrO₂

Molecular Weight

215.04 g/mol

InChI Key

SEENCYZQHCUTSB-UHFFFAOYSA-N

1 2D Structure

CAS 79669-49-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-2-methylbenzoic acid

2.1.2 InChI

InChI=1S/C8H7BrO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)

2.1.3 InChI Key

SEENCYZQHCUTSB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)Br)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 79669-49-1

2. 2-methyl-5-bromobenzoic Acid

3. 5-bromo-o-toluic Acid

4. 5-bromo-2-methyl Benzoic Acid

5. Benzoic Acid, 5-bromo-2-methyl-

6. Mfcd00267350

7. 5-bromo-2-methyl-benzoic Acid

8. Nsc403996

9. 5-bromo-2-methylbenzoicacid

10. Schembl17332

11. 3-bromo-6-methylbenzoic Acid

12. Dtxsid50323433

13. Act01118

14. Bcp08460

15. Zinc1596249

16. 5-bromo-2-methylbenzoic Acid, 97%

17. Akos005256248

18. Ac-2361

19. Cs-w019672

20. Nsc-403996

21. Ps-7950

22. Sb40579

23. Db-006974

24. A9923

25. Am20060419

26. B3050

27. Ft-0600390

28. En300-85053

29. Ae-562/43287083

30. J-516975

31. Z1695922806

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇BrO₂
Molecular Weight	215.04 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	213.96294 g/mol
Monoisotopic Mass	213.96294 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

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2-(4-Fluorophenyl)thiophene

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CAS Number

58861-48-6

End Use API

Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...

Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.

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5-Bromo-2-Methylbenzoic Acid

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CAS Number

79669-49-1

End Use API

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Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplyin...

Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplying, and custom synsthesis latest chemicals. Our products cover all kinds of range like pharmaceuticals, agrochemicals, electronic chemicals, surfactants and other specialty chemicals.

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