Cas no 62579-61-7 ([1,1'-Biphenyl]-3-amine, 4'-chloro-4-nitro-)

[1,1'-Biphenyl]-3-amine, 4'-chloro-4-nitro- structure
62579-61-7 structure
Product Name:[1,1'-Biphenyl]-3-amine, 4'-chloro-4-nitro-
CAS No:62579-61-7
MF:C12H9ClN2O2
MW:248.665061712265
CID:439451
PubChem ID:19077630
Update Time:2025-04-19

[1,1'-Biphenyl]-3-amine, 4'-chloro-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-amine, 4'-chloro-4-nitro-
    • 5-(4-chlorophenyl)-2-nitroaniline
    • DTXSID30597852
    • 62579-61-7
    • SCHEMBL8587439
    • JHNUCTOFNZGSFZ-UHFFFAOYSA-N
    • 4-CHLORO-4-NITRO-[1,1-BIPHENYL]-3-AMINE
    • F96285
    • 4'-Chloro-4-nitro[1,1'-biphenyl]-3-amine
    • 4'-Chloro-4-nitro-[1,1'-biphenyl]-3-amine
    • Inchi： 1S/C12H9ClN2O2/c13-10-4-1-8(2-5-10)9-3-6-12(15(16)17)11(14)7-9/h1-7H,14H2
    • InChI Key： JHNUCTOFNZGSFZ-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1)C1C=CC(=C(C=1)N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 248.03537
  • Monoisotopic Mass: 248.0352552g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 274
  • 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: 3.9
  • Topological Polar Surface Area: 71.8?2

Experimental Properties

  • PSA: 69.16

[1,1'-Biphenyl]-3-amine, 4'-chloro-4-nitro- Pricemore >>

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AR01J52R-250mg
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