Cas no 329794-80-1 (Benzoyl chloride,4-[(dimethylamino)carbonyl]-)

Benzoyl chloride,4-[(dimethylamino)carbonyl]- structure
329794-80-1 structure
Product Name:Benzoyl chloride,4-[(dimethylamino)carbonyl]-
CAS No:329794-80-1
MF:C10H10ClNO2
MW:211.644901752472
CID:301691
PubChem ID:22498844
Update Time:2025-04-19

Benzoyl chloride,4-[(dimethylamino)carbonyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoyl chloride,4-[(dimethylamino)carbonyl]-
    • 4-(Dimethylcarbamoyl)benzoylchloride
    • 4-dimethylcarbamoylbenzoyl chloride
    • SCHEMBL458034
    • ZDFHEEMEQQMQRY-UHFFFAOYSA-N
    • 329794-80-1
    • DTXSID30626257
    • 4-(dimethylcarbamoyl)benzoyl chloride
    • Inchi: 1S/C10H10ClNO2/c1-12(2)10(14)8-5-3-7(4-6-8)9(11)13/h3-6H,1-2H3
    • InChI Key: ZDFHEEMEQQMQRY-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(=CC=1)C(N(C)C)=O)=O

Computed Properties

  • Exact Mass: 211.0401
  • Monoisotopic Mass: 211.0400063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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: 1.5
  • Topological Polar Surface Area: 37.4?2

Experimental Properties

  • PSA: 37.38
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