(S)-1-Chloro-2-propanol

C₃H₇ClOCAS 37493-16-694.54 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃H₇ClO
Molar mass: 94.54 g/mol
Exact mass: 94.0185 Da
Boiling point: 68–70 °C (at 70 Torr)
logP: 0.61Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

37493-16-6

SMILES

C[C@H](O)CCl

InChIKey

YYTSGNJTASLUOY-VKHMYHEASA-N

InChI

InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1

Weigh it out

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

Names and synonyms

4 names

2-Propanol, 1-chloro-, (2S)-
2-Propanol, 1-chloro-, (S)-
(+)-1-Chloro-2-propanol
(2S)-1-Chloropropan-2-ol

Work with (S)-1-Chloro-2-propanol

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

R-(-)-1,2-Propanediol4254-14-253 % similar (+)-1,2-Propanediol4254-15-353 % similar Propylene glycol57-55-653 % similar 2,5-Hexanediol2935-44-650 % similar 2,4-Pentanediol625-69-450 % similar (-)-2-Butanol14898-79-445 % similar (±)-2-Butanol15892-23-645 % similar (+)-2-Butanol4221-99-245 % similar

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

Same formula

1-Chloro-2-propanol127-00-4 (Chloromethoxy)ethane3188-13-4 3-Chloro-1-propanol627-30-5 2-Chloroethyl methyl ether627-42-9 Propylene chlorohydrin78-89-7

Elsewhere

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