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Home> Hot Product Listed 1   > 1,1-Dichloro-2-butene.
25784-83-2 structure

1,1-Dichloro-2-butene.

Iupac Name:1-(4-chlorophenyl)sulfanylpropan-2-one
CAS No.:25784-83-2
Molecular Weight:200.68
Molecular Formula:C18H13FN2O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C9H9ClOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChkey
VIUDWXCHYJJHLD-UHFFFAOYSA-N
Canonical Smiles
CC(=O)CSC1=CC=C(C=C1)Cl
Properties
Density
1.526
Melting Point
38-42 °C(lit.)
Boiling Point
677.9°C at 760 mmHg
Vapour
0.00249mmHg at 25°C
Refractive Index
1.577
Safety and Handling
Risk Statements
R22
Safety Statements
26-36/37/39
Computational chemical data
  • Molecular Weight:200.68g/mol
  • Molecular Formula:C18H13FN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:200.006
  • Monoisotopic Mass:200.006
  • Complexity:153
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:42.4A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwIABEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgYAAAAACAaE0CCyAYAAAAiI AKBSAAACAAAgDRAIiBgAAogIICKhExCAIAAggAAoiAcAAAAAAAIAAAAAAAAABAAAAAAAAAAAAAAA AA==
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