Cas no 89727-55-9 (Benzene, 1-(1-bromo-2,2-dimethylpropyl)-4-nitro-)

Benzene, 1-(1-bromo-2,2-dimethylpropyl)-4-nitro- structure
89727-55-9 structure
Product Name:Benzene, 1-(1-bromo-2,2-dimethylpropyl)-4-nitro-
CAS No:89727-55-9
MF:C11H14BrNO2
MW:272.138362407684
CID:591288
PubChem ID:71325853
Update Time:2025-04-19

Benzene, 1-(1-bromo-2,2-dimethylpropyl)-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(1-bromo-2,2-dimethylpropyl)-4-nitro-
    • 1-(1-bromo-2,2-dimethylpropyl)-4-nitrobenzene
    • 89727-55-9
    • DTXSID80755122
    • Inchi: 1S/C11H14BrNO2/c1-11(2,3)10(12)8-4-6-9(7-5-8)13(14)15/h4-7,10H,1-3H3
    • InChI Key: KBAXCJOLQZPAPF-UHFFFAOYSA-N
    • SMILES: BrC(C1C=CC(=CC=1)[N+](=O)[O-])C(C)(C)C

Computed Properties

  • Exact Mass: 271.02079g/mol
  • Monoisotopic Mass: 271.02079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 224
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 45.8?2
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