Cas no 3335-34-0 (Benzene, 1-methyl-3-(trichloromethyl)-)

Benzene, 1-methyl-3-(trichloromethyl)- structure
3335-34-0 structure
Product Name:Benzene, 1-methyl-3-(trichloromethyl)-
CAS No:3335-34-0
MF:C8H7Cl3
MW:209.50017952919
CID:1457109
PubChem ID:599554
Update Time:2025-04-20

Benzene, 1-methyl-3-(trichloromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-methyl-3-(trichloromethyl)-
    • 1-Methyl-3-(trichloromethyl)benzene #
    • 1-Trichloromethyl-3-methylbenzene
    • 3-Methyl Benzotrichloride
    • m-Xylene, .alpha.,.alpha.,.alpha.-trichloro-
    • 3-Methylbenzotrichloride
    • 3335-34-0
    • SCHEMBL1538526
    • Inchi: 1S/C8H7Cl3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3
    • InChI Key: HVGRCUXFDYITJK-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC=C(C)C=1)(Cl)Cl

Computed Properties

  • Exact Mass: 207.96151
  • Monoisotopic Mass: 207.961333g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 128
  • 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: 4.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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