chempirical

4-Chlorostyrene oxide

C8H7ClOCAS 2788-86-5154.59 g/mol

Open in Covalent MOL file
ClO
Aryl halideEpoxideEther

Properties

Molecular formula
C8H7ClO
Molar mass
154.59 g/mol
Exact mass
154.0185 Da
Density
1.2169 g/mL (at 20 °C)
Boiling point
108 °C (at 13 Torr)
logP
2.41Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
2788-86-5
SMILES
Clc1ccc(C2CO2)cc1
InChIKey
IBWLXNDOMYKTAD-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2

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Names and synonyms

9 names
  • Oxirane, 2-(4-chlorophenyl)-
  • Benzene, 1-chloro-4-(epoxyethyl)-
  • Oxirane, (4-chlorophenyl)-
  • 2-(4-Chlorophenyl)oxirane
  • p-Chlorostyrene oxide
  • (p-Chlorophenyl)oxirane
  • (±)-(4-Chlorophenyl)oxirane
  • 4-Chlorophenyloxirane
  • 4-Chlorostyrene epoxide

Work with 4-Chlorostyrene oxide

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

(+)-Styrene oxide20780-53-456 % similar (S)-Styrene oxide20780-54-556 % similar 2-(4-Fluorophenyl)oxirane18511-62-156 % similar 2-(4-Chlorophenyl)-1,3-dioxolane2403-54-556 % similar 4,4′-Dichlorobenzhydrol90-97-144 % similar 1,4-Dichlorobenzene106-46-743 % similar Dichlorodiphenyldichloroethane72-54-843 % similar Ddt50-29-341 % similar

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

Same formula

Phenylacetyl chloride103-80-0 2-Chloro-6-methylbenzaldehyde1194-64-5 3-Methylbenzoyl chloride1711-06-4 2′-Chloroacetophenone2142-68-9 Phenacyl chloride532-27-4 4-Methylbenzoyl chloride874-60-2 2-Methylbenzoyl chloride933-88-0 1-(3-Chlorophenyl)ethanone99-02-5

Elsewhere

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