Methyl 4-chlorobutyrate
Properties
- Molecular formula
- C5H9ClO2
- Molar mass
- 136.58 g/mol
- Exact mass
- 136.0291 Da
- Density
- 1.1162 g/mL (at 25 °C)
- Boiling point
- 175 °C
- logP
- 1.18Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
3153-37-5SMILES
COC(=O)CCCClInChIKey
ZZUYIRISBMWFMV-UHFFFAOYSA-NInChI
InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Butanoic acid, 4-chloro-, methyl ester
- Butyric acid, 4-chloro-, methyl ester
- Methyl 4-chlorobutanoate
- γ-Chlorobutyric acid methyl ester
- Methyl ω-chlorobutyrate
- 4-Chlorobutyric acid methyl ester
- Methyl γ-chlorobutyrate
- 4-Chlorobutanoic acid methyl ester
- NSC 66271
Work with Methyl 4-chlorobutyrate
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
Dimethyl glutarate1119-40-073 % similar
Dimethyl adipate627-93-070 % similar
Dimethyl sebacate106-79-667 % similar
1,12-Dimethyl dodecanedioate1731-79-967 % similar
Dimethyl pimelate1732-08-767 % similar
Dimethyl suberate1732-09-867 % similar
Dimethyl azelate1732-10-167 % similar
Rhodasolv RPDE NA95481-62-267 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds