Cas no 103440-03-5 (4-(chloromethyl)-3-nitrobenzoic acid)

4-(chloromethyl)-3-nitrobenzoic acid structure
103440-03-5 structure
Product Name:4-(chloromethyl)-3-nitrobenzoic acid
CAS No:103440-03-5
MF:C8H6ClNO4
MW:215.590541362762
MDL:MFCD26801843
CID:4388410
PubChem ID:14927138
Update Time:2025-04-24

4-(chloromethyl)-3-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-(chloromethyl)-3-nitro-
    • 4-(chloromethyl)-3-nitrobenzoic acid
    • OOCUPQDMNUETMI-UHFFFAOYSA-N
    • 4-(chloromethyl)-3-nitrobenzoicacid
    • 103440-03-5
    • 3-nitro-p-chloromethylbenzoic acid
    • EN300-267527
    • SCHEMBL2292095
    • DEA44003
    • G48860
    • 968-240-7
    • MFCD26801843
    • MDL： MFCD26801843
    • Inchi： 1S/C8H6ClNO4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
    • InChI Key： OOCUPQDMNUETMI-UHFFFAOYSA-N
    • SMILES： ClCC1C=CC(C(=O)O)=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 214.9985354g/mol
  • Monoisotopic Mass: 214.9985354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • 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: 1.7
  • Topological Polar Surface Area: 83.1?2

4-(chloromethyl)-3-nitrobenzoic acid Pricemore >>

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