Cas no 913173-66-7 ([4-(2-Nitro-phenylamino)-phenyl]-acetic acid)

[4-(2-Nitro-phenylamino)-phenyl]-acetic acid structure
913173-66-7 structure
Product Name:[4-(2-Nitro-phenylamino)-phenyl]-acetic acid
CAS No:913173-66-7
MF:C14H12N2O4
MW:272.256083488464
CID:2119797
Update Time:2023-08-04

[4-(2-Nitro-phenylamino)-phenyl]-acetic acid Chemical and Physical Properties

Names and Identifiers

    • [4-(2-nitro-phenylamino)-phenyl]-acetic acid
    • GLMSGWZHAFGSOU-UHFFFAOYSA-N
    • [4-(2-Nitro-phenylamino)-phenyl]acetic acid
    • [4-(2-Nitro-phenylamino)-phenyl]-acetic acid
    • Inchi: 1S/C14H12N2O4/c17-14(18)9-10-5-7-11(8-6-10)15-12-3-1-2-4-13(12)16(19)20/h1-8,15H,9H2,(H,17,18)
    • InChI Key: GLMSGWZHAFGSOU-UHFFFAOYSA-N
    • SMILES: OC(CC1C=CC(=CC=1)NC1C=CC=CC=1[N+](=O)[O-])=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 348
  • XLogP3: 3.1
  • Topological Polar Surface Area: 95.2
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