Cas no 78616-33-8 (Benzoyl chloride,4-[(acetyloxy)methyl]-)

Benzoyl chloride,4-[(acetyloxy)methyl]- structure
78616-33-8 structure
Product Name:Benzoyl chloride,4-[(acetyloxy)methyl]-
CAS No:78616-33-8
MF:C10H9ClO3
MW:212.629662275314
CID:553381
PubChem ID:18183054
Update Time:2025-04-19

Benzoyl chloride,4-[(acetyloxy)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoyl chloride,4-[(acetyloxy)methyl]-
    • (4-carbonochloridoylphenyl)methyl acetate
    • Benzoyl chloride, 4-[(acetyloxy)methyl]- (9CI)
    • 4-(Chlorocarbonyl)benzyl acetate
    • [4-(Chlorocarbonyl)phenyl]methyl acetate
    • SCHEMBL7201649
    • 78616-33-8
    • DTXSID80592630
    • Inchi: 1S/C10H9ClO3/c1-7(12)14-6-8-2-4-9(5-3-8)10(11)13/h2-5H,6H2,1H3
    • InChI Key: PFLSQAUIPAVWLO-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(=CC=1)COC(C)=O)=O

Computed Properties

  • Exact Mass: 212.0240218g/mol
  • Monoisotopic Mass: 212.0240218g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 219
  • 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: 2.5
  • Topological Polar Surface Area: 43.4?2
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