CAS 98475-07-1

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6 Suppliers, 6 End Use APIs, 11 Related Intermediates

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6 End Use APIs
11 Related Intermediates

Chemistry

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Also known as: 98475-07-1, Methyl 2-bromomethyl-3-nitrobenzoate, 2-(bromomethyl)-3-nitrobenzoic acid methyl ester, Methyl 2-bromomethyl-3-nitro-benzoate, 2-bromomethyl-3-nitrobenzoic acid methyl ester, Methyl 2-(bromomethyl)-3-nitrobenzenecarboxylate

Molecular Formula

C₉H₈BrNO₄

Molecular Weight

274.07 g/mol

InChI Key

FCGIVHSBEKGQMZ-UHFFFAOYSA-N

1 2D Structure

CAS 98475-07-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-(bromomethyl)-3-nitrobenzoate

2.1.2 InChI

InChI=1S/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3

2.1.3 InChI Key

FCGIVHSBEKGQMZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 98475-07-1

2. Methyl 2-bromomethyl-3-nitrobenzoate

3. 2-(bromomethyl)-3-nitrobenzoic Acid Methyl Ester

4. Methyl 2-bromomethyl-3-nitro-benzoate

5. 2-bromomethyl-3-nitrobenzoic Acid Methyl Ester

6. Methyl 2-(bromomethyl)-3-nitrobenzenecarboxylate

7. Benzoic Acid, 2-(bromomethyl)-3-nitro-, Methyl Ester

8. Mfcd04114315

9. 2-bromomethyl-3-nitro Benzoic Acid Methyl Ester

10. 2-bromomethyl-3-nitro-benzoic Acid Methyl Ester

11. Methyl2-bromomethyl-3-nitrobenzoate

12. 2-bromomethyl-3-nitrobenzoicacid Methyl Ester

13. Schembl332011

14. Ambz0154

15. Dtxsid90363373

16. Act00740

17. Albb-015318

18. Bcp08616

19. Cs-m1822

20. Zinc1402301

21. Ab9646

22. Methyl-2-bromomethyl-3-nitrobenzoate

23. Akos005069296

24. Methyl-2-bromomethyl-3-nitro-benzoate

25. Methyl2-(bromomethyl)-3-nitrobenzoate

26. Ab18052

27. Ac-5512

28. Methyl 3-nitro-2-(bromomethyl)benzoate

29. Sy078642

30. Db-000292

31. Am20090679

32. Ft-0658194

33. M2422

34. 2-bromomethyl-3-nitro-benzoicacid Methyl Ester

35. 2-(bromomethyl)-3-nitrobenzoic Acid, Methyl Ester

36. 2-(bromomethyl)-3-nitrobenzoic Acid,methyl Ester

37. 475m071

38. Sr-01000307055

39. 10w-0872

40. J-521863

41. Sr-01000307055-1

2.3 Create Date

2005-07-11

3 Chemical and Physical Properties

Molecular Formula	C₉H₈BrNO₄
Molecular Weight	274.07 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	272.96367 g/mol
Monoisotopic Mass	272.96367 g/mol
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	253
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