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Home> Hot Product Listed T   > T6640737
676-77-7 structure

T6640737

Iupac Name:acetyl chloride
CAS No.:676-77-7
Molecular Weight:80.487
Molecular Formula:C13H18N2O3 (isomer)
Names and Identifiers
Synonyms

MCULE-3059125746 MOLPORT-009-048-719 n-{2-[ethyl(3-methylphenyl)amino]ethyl}-2-(2,2,2-trifluoroethoxy)propanamide Z406554810

Inchi
InChI=1S/C2H3ClO/c1-2(3)4/h1H3/i2+2
InChkey
WETWJCDKMRHUPV-HQMMCQRPSA-N
Canonical Smiles
CC(=O)Cl
Computational chemical data
  • Molecular Weight:80.487g/mol
  • Molecular Formula:C13H18N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:79.99
  • Monoisotopic Mass:79.99
  • Complexity:33
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:4
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:1
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcQBAIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAAAAKAgAACAAAAAAAI AEAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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