Cas no 80245-27-8 (1-Chloro-4-methyl-2-(trifluoromethyl)benzene)

1-Chloro-4-methyl-2-(trifluoromethyl)benzene structure
80245-27-8 structure
Product Name:1-Chloro-4-methyl-2-(trifluoromethyl)benzene
CAS No:80245-27-8
MF:C8H6ClF3
MW:194.581451892853
CID:890535
PubChem ID:11701195
Update Time:2025-04-19

1-Chloro-4-methyl-2-(trifluoromethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Chloro-4-methyl-2-(trifluoromethyl)benzene
    • 2-Chloro-5-Methylbenzotrifluoride
    • AKOS006345691
    • SCHEMBL167133
    • DTXSID90470798
    • FT-0691005
    • 2-Chloro-4-methylbenzotrifluoride,97+%
    • 80245-27-8
    • FS-6320
    • AVYYJKOBUUDCCH-UHFFFAOYSA-N
    • IMPMIXZCWUYXMI-UHFFFAOYSA-N
    • MFCD00035988
    • 1-Chloro-4-methyl-2-(trifluoromethyl)benzene, 6-Chloro-alpha,alpha,alpha-trifluoro-m-xylene
    • MDL： MFCD00035988
    • Inchi： 1S/C8H6ClF3/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
    • InChI Key： CMXLWMLABMJODV-UHFFFAOYSA-N
    • SMILES： ClC1=CC=C(C)C=C1C(F)(F)F

Computed Properties

  • Exact Mass: 194.0110124g/mol
  • Monoisotopic Mass: 194.0110124g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 155
  • 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: 3.8
  • Topological Polar Surface Area: 0?2

1-Chloro-4-methyl-2-(trifluoromethyl)benzene Pricemore >>

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