Cas no 631911-97-2 (2-Bromo-3-methyl-5-nitroaniline)

2-Bromo-3-methyl-5-nitroaniline structure
631911-97-2 structure
Product Name:2-Bromo-3-methyl-5-nitroaniline
CAS No:631911-97-2
MF:C7H7BrN2O2
MW:231.046680688858
MDL:MFCD28099606
CID:427059
PubChem ID:21886241
Update Time:2025-04-19

2-Bromo-3-methyl-5-nitroaniline Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 2-bromo-3-methyl-5-nitro-
    • 2-bromo-3-methyl-5-nitroaniline
    • KOFZWAGTGPUOCM-UHFFFAOYSA-N
    • 2-Bromo-3-methyl-5-nitro-phenylamine
    • FCH2572331
    • AX8290945
    • BS-17801
    • CS-0153245
    • SCHEMBL2144780
    • 631911-97-2
    • C90777
    • MFCD28099606
    • DTXSID20619451
    • AKOS024261846
    • 2-Bromo-3-methyl-5-nitroaniline
    • MDL: MFCD28099606
    • Inchi: 1S/C7H7BrN2O2/c1-4-2-5(10(11)12)3-6(9)7(4)8/h2-3H,9H2,1H3
    • InChI Key: KOFZWAGTGPUOCM-UHFFFAOYSA-N
    • SMILES: BrC1=C(C=C(C=C1C)[N+](=O)[O-])N

Computed Properties

  • Exact Mass: 229.96911
  • Monoisotopic Mass: 229.96909g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 183
  • 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: 2.1
  • Topological Polar Surface Area: 71.8

Experimental Properties

  • PSA: 69.16

2-Bromo-3-methyl-5-nitroaniline Pricemore >>

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abcr
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