1-Chloro-1-nitroethane

C₂H₄ClNO₂CAS 598-92-5109.51 g/mol

Open in Covalent MOL file

Alkyl halide Nitro

Properties

Molecular formula: C₂H₄ClNO₂
Molar mass: 109.51 g/mol
Exact mass: 108.9931 Da
Density: 1.2722 g/mL (at 25 °C)
Boiling point: 124.5 °C
logP: 0.85Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

598-92-5

SMILES

CC(Cl)[N+](=O)[O-]

InChIKey

LPIWIOBGUAPNQW-UHFFFAOYSA-N

InChI

InChI=1S/C2H4ClNO2/c1-2(3)4(5)6/h2H,1H3

Weigh it out

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

Names and synonyms

3 names

Ethane, 1-chloro-1-nitro-
1-Chloronitroethane
NSC 6154

Work with 1-Chloro-1-nitroethane

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

Elsewhere

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