Cas no 16586-60-0 (4-Chloro-3-nitrobenzamide)

4-Chloro-3-nitrobenzamide structure
4-Chloro-3-nitrobenzamide structure
Product Name:4-Chloro-3-nitrobenzamide
CAS No:16586-60-0
MF:C7H5ClN2O3
MW:200.57920050621
CID:2619791
Update Time:2023-08-07

4-Chloro-3-nitrobenzamide Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-3-nitrobenzamide
    • 3-Nitro-4-chlorobenzamide
    • BENZAMIDE, 4-CHLORO-3-NITRO-
    • 4-Chlor-3-nitrobenzamid [Czech]
    • 4-Chlor-3-nitrobenzamid
    • NSC127825
    • 3-nitro-4-chloro-benzamide
    • Benzamide,4-chloro-3-nitro-
    • 4-chloranyl-3-nitro-benzamide
    • CGXRJCDXGJRBHV-UHFFFAOYSA-N
    • STL140675
    • SBB092661
    • 8427AA
    • NCI60_000636
    • AS-3
    • Inchi: 1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
    • InChI Key: CGXRJCDXGJRBHV-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(C(N)=O)=CC=1[N+](=O)[O-]
    • BRN: 0645210

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 228
  • XLogP3: 1.1
  • Topological Polar Surface Area: 88.9
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