Cas no 1076192-08-9 (Methyl (2-chloro-6-methylphenyl)acetate)

Methyl (2-chloro-6-methylphenyl)acetate structure
1076192-08-9 structure
Product Name:Methyl (2-chloro-6-methylphenyl)acetate
CAS No:1076192-08-9
MF:C10H11ClO2
MW:198.646142244339
CID:2126363
PubChem ID:25114117
Update Time:2024-03-01

Methyl (2-chloro-6-methylphenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • methyl (2-chloro-6-methylphenyl)acetate
    • Methyl (2-chloro-6-methylphenyl)acetate
    • Inchi: 1S/C10H11ClO2/c1-7-4-3-5-9(11)8(7)6-10(12)13-2/h3-5H,6H2,1-2H3
    • InChI Key: BANQHGUVFPHVIH-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(C)=C1CC(=O)OC

Computed Properties

  • Exact Mass: 198.0447573g/mol
  • Monoisotopic Mass: 198.0447573g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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
  • Topological Polar Surface Area: 26.3
  • XLogP3: 2.7

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