chempirical

2-Chloroethyl carbamate

C3H6ClNO2CAS 2114-18-3123.54 g/mol

Open in Covalent MOL file
NH2OOCl
Alkyl halide

Properties

Molecular formula
C3H6ClNO2
Molar mass
123.54 g/mol
Exact mass
123.0087 Da
Melting point
76 °C
logP
0.73Crippen estimate
Polar surface area
53.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
2114-18-3
SMILES
N=C(O)OCCCl
InChIKey
LIJLYNWYKULUHA-UHFFFAOYSA-N
InChI
InChI=1S/C3H6ClNO2/c4-1-2-7-3(5)6/h1-2H2,(H2,5,6)

Weigh it out

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

Names and synonyms

5 names
  • Ethanol, 2-chloro-, 1-carbamate
  • Ethanol, 2-chloro-, carbamate
  • Carbamic acid, 2-chloroethyl ester
  • β-Chloroethyl carbamate
  • NSC 31185

Work with 2-Chloroethyl carbamate

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

Same formula

Chloroalanine2731-73-9 N-Methylol-α-chloroacetamide2832-19-1 2-Chloro-2-nitropropane594-71-8 1-Chloro-1-nitropropane600-25-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook