Cas no 632340-56-8 (2-(bromomethyl)-3-nitrobenzoic acid)

2-(bromomethyl)-3-nitrobenzoic acid structure
632340-56-8 structure
Product Name:2-(bromomethyl)-3-nitrobenzoic acid
CAS No:632340-56-8
MF:C8H6BrNO4
MW:260.041541576386
MDL:MFCD11042348
CID:502131
PubChem ID:10923251
Update Time:2025-04-19

2-(bromomethyl)-3-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoicacid, 2-(bromomethyl)-3-nitro-
    • 2-(bromomethyl)-3-nitrobenzoic acid
    • Benzoic acid,2-(bromomethyl)-3-nitro
    • SCHEMBL1398972
    • 2-bromomethyl-3-nitrobenzoic acid
    • Benzoic acid, 2-(bromomethyl)-3-nitro-
    • WNTCNOMUJRQWGP-UHFFFAOYSA-N
    • Benzoicacid,2-(bromomethyl)-3-nitro-
    • DTXSID30448512
    • EN300-143743
    • 2-bromomethyl-3-nitro-benzoic acid
    • 632340-56-8
    • MDL： MFCD11042348
    • Inchi： 1S/C8H6BrNO4/c9-4-6-5(8(11)12)2-1-3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
    • InChI Key： WNTCNOMUJRQWGP-UHFFFAOYSA-N
    • SMILES： BrCC1C(=CC=CC=1C(=O)O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 258.94800
  • Monoisotopic Mass: 258.94802g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 83.1?2

Experimental Properties

  • PSA: 83.12000
  • LogP: 2.71110

2-(bromomethyl)-3-nitrobenzoic acid Pricemore >>

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