Cas no 746641-12-3 (Benzoyl chloride,2-ethoxy-4-methyl-)

Benzoyl chloride,2-ethoxy-4-methyl- structure
746641-12-3 structure
Product Name:Benzoyl chloride,2-ethoxy-4-methyl-
CAS No:746641-12-3
MF:C10H11ClO2
MW:198.646142244339
CID:560915
PubChem ID:45081760
Update Time:2025-04-19

Benzoyl chloride,2-ethoxy-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzoyl chloride,2-ethoxy-4-methyl-
    • Benzoyl chloride, 2-ethoxy-4-methyl- (9CI)
    • 2-ethoxy-4-methylbenzoyl chloride
    • 746641-12-3
    • DTXSID50664833
    • Inchi: 1S/C10H11ClO2/c1-3-13-9-6-7(2)4-5-8(9)10(11)12/h4-6H,3H2,1-2H3
    • InChI Key: SUEHAIRMBNMFPM-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(C)=CC=1OCC)=O

Computed Properties

  • Exact Mass: 198.04483
  • Monoisotopic Mass: 198.045
  • 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: 26.3A^2
  • XLogP3: 3.1

Experimental Properties

  • PSA: 26.3
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