1-(3-Chlorophenyl)ethanone
Properties
- Molecular formula
- C8H7ClO
- Molar mass
- 154.59 g/mol
- Exact mass
- 154.0185 Da
- Density
- 1.213 g/mL (at 10 °C)
- Boiling point
- 244 °C
- logP
- 2.54Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
99-02-5SMILES
CC(=O)c1cccc(Cl)c1InChIKey
UUWJBXKHMMQDED-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Ethanone, 1-(3-chlorophenyl)-
- Acetophenone, 3′-chloro-
- m-Chloroacetophenone
- 3′-Chloroacetophenone
- 1-Acetyl-3-chlorobenzene
- Methyl 3-chlorophenyl ketone
- 3-Chlorophenyl methyl ketone
- 1-(3-Chlorophenyl)ethan-1-one
Work with 1-(3-Chlorophenyl)ethanone
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,3-Diacetylbenzene6781-42-672 % similar
P-Chloroacetophenone99-91-261 % similar
3′-Fluoroacetophenone455-36-760 % similar
3′-Methylacetophenone585-74-060 % similar
3-Hydroxyacetophenone121-71-158 % similar
3-Iodoacetophenone14452-30-358 % similar
3′-Aminoacetophenone99-03-658 % similar
3-Chlorobenzoyl chloride618-46-257 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds