(R)-4-Chloro-3-hydroxybutyric acid methyl ester

C₅H₉ClO₃CAS 88496-70-2152.57 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ester

Properties

Molecular formula: C₅H₉ClO₃
Molar mass: 152.57 g/mol
Exact mass: 152.0240 Da
logP: 0.15Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

88496-70-2

SMILES

COC(=O)C[C@H](CCl)O

InChIKey

WMRINGSAVOPXTE-SCSAIBSYSA-N

InChI

InChI=1S/C5H9ClO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3H2,1H3/t4-/m1/s1

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Names and synonyms

1 names

Methyl (R)-4-Chloro-3-hydroxybutyrate

Work with (R)-4-Chloro-3-hydroxybutyric acid methyl ester

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

1,5-Dimethyl 3-hydroxypentanedioate7250-55-774 % similar Ethyl 4-chloro-3-hydroxybutyrate10488-69-464 % similar Ethyl (3S)-4-chloro-3-hydroxybutanoate86728-85-064 % similar Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate90866-33-464 % similar Methyl 3-hydroxyhexanoate21188-58-961 % similar Methyl 3-hydroxydecanoate62675-82-554 % similar Methyl (-)-3-hydroxybutyrate3976-69-053 % similar Methyl (+)-3-hydroxybutanoate53562-86-053 % similar

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

Same formula

Chloromethyl 1-methylethyl carbonate35180-01-9 α-Chlorodiethyl carbonate50893-36-2

Elsewhere

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