Cas no 86368-44-7 (Benzene,1-(1,1-dimethylethyl)-4-methyl-, dichloro deriv. (9CI))

Benzene,1-(1,1-dimethylethyl)-4-methyl-, dichloro deriv. (9CI) structure
86368-44-7 structure
Product Name:Benzene,1-(1,1-dimethylethyl)-4-methyl-, dichloro deriv. (9CI)
CAS No:86368-44-7
MF:C11H14Cl2
MW:217.134861469269
CID:732059
PubChem ID:187498
Update Time:2025-04-19

Benzene,1-(1,1-dimethylethyl)-4-methyl-, dichloro deriv. (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(1,1-dimethylethyl)-4-methyl-, dichloro deriv. (9CI)
    • 1-tert-butyl-2,3-dichloro-4-methylbenzene
    • Inchi: 1S/C11H14Cl2/c1-7-5-6-8(11(2,3)4)10(13)9(7)12/h5-6H,1-4H3
    • InChI Key: BUBNKFXAGSSJCM-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C)C=CC=1C(C)(C)C)Cl

Computed Properties

  • Exact Mass: 216.0472558g/mol
  • Monoisotopic Mass: 216.0472558g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 171
  • 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: 5.2
  • Topological Polar Surface Area: 0?2
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