(S)-4-Chloro-3-hydroxybutyronitrile

C₄H₆ClNOCAS 127913-44-4119.55 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Nitrile

Properties

Molecular formula: C₄H₆ClNO
Molar mass: 119.55 g/mol
Exact mass: 119.0138 Da
logP: 0.50Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

127913-44-4

SMILES

C(C#N)[C@@H](CCl)O

InChIKey

LHBPNZDUNCZWFL-BYPYZUCNSA-N

InChI

InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(3S)-4-Chloro-3-hydroxybutanenitrile

Work with (S)-4-Chloro-3-hydroxybutyronitrile

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

(2R)-3-Chloro-1,2-propanediol57090-45-644 % similar (+)-3-Chloro-1,2-propanediol60827-45-444 % similar Ethyl (R)-4-cyano-3-hydroxybutyrate141942-85-039 % similar (-)-1-Amino-3-chloro-2-propanol hydrochloride34839-13-938 % similar Sodium 1-chloro-2-hydroxypropane-3-sulfonate126-83-035 % similar Isovaleronitrile625-28-535 % similar (3-Chloro-2-hydroxypropyl)trimethylammonium chloride3327-22-834 % similar Ethyl 4-chloro-3-hydroxybutyrate10488-69-433 % similar

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

Same formula

3-Chloropropyl isocyanate13010-19-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook