chempirical

trans-Crotonyl chloride

C4H5ClOCAS 625-35-4104.53 g/mol

Open in Covalent MOL file
OCl
Acyl halideAlkene

Properties

Molecular formula
C4H5ClO
Molar mass
104.53 g/mol
Exact mass
104.0029 Da
Melting point
72–74 °C
Boiling point
77–80 °C (at 15 Torr)
logP
1.33Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
625-35-4
SMILES
C/C=C/C(=O)Cl
InChIKey
RJUIDDKTATZJFE-NSCUHMNNSA-N
InChI
InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 2-Butenoyl chloride, (2E)-
  • Crotonoyl chloride, (E)-
  • 2-Butenoyl chloride, (E)-
  • (2E)-2-Butenoyl chloride
  • (E)-Crotonoyl chloride
  • trans-2-Butenoyl chloride
  • trans-Crotonoyl chloride
  • (E)-But-2-enoyl chloride
  • (E)-Crotonic acid chloride
  • (E)-Crotonyl chloride

Work with trans-Crotonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Ethoxy-2-propenoyl chloride6191-99-744 % similar 3-Methyl-2-butenoyl chloride3350-78-543 % similar 4-Hexen-3-one2497-21-442 % similar 3-Penten-2-one625-33-241 % similar Acryloyl chloride814-68-641 % similar Cinnamoyl chloride102-92-139 % similar Crotonic acid107-93-739 % similar Crotonic acid3724-65-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Butenoyl chloride10487-71-5 Cyclopropanecarbonyl chloride4023-34-1 Methacryloyl chloride920-46-7

Elsewhere

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