Cas no 61735-72-6 (1-Naphthalenamine, 4-chloro-6,7-dimethyl-5,8-dinitro-)

1-Naphthalenamine, 4-chloro-6,7-dimethyl-5,8-dinitro- structure
61735-72-6 structure
Product Name:1-Naphthalenamine, 4-chloro-6,7-dimethyl-5,8-dinitro-
CAS No:61735-72-6
MF:C12H10ClN3O4
MW:295.678501605988
CID:468061
PubChem ID:12347922
Update Time:2025-04-19

1-Naphthalenamine, 4-chloro-6,7-dimethyl-5,8-dinitro- Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenamine, 4-chloro-6,7-dimethyl-5,8-dinitro-
    • 4-chloro-6,7-dimethyl-5,8-dinitronaphthalen-1-amine
    • DTXSID60492982
    • 61735-72-6
    • Inchi: 1S/C12H10ClN3O4/c1-5-6(2)12(16(19)20)10-8(14)4-3-7(13)9(10)11(5)15(17)18/h3-4H,14H2,1-2H3
    • InChI Key: UVXFJBRGAPCFSG-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C2=C(C(C)=C(C)C(=C21)[N+](=O)[O-])[N+](=O)[O-])N

Computed Properties

  • Exact Mass: 295.0361
  • Monoisotopic Mass: 295.0359835g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 411
  • 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: 3.5
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • PSA: 112.3
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