2-Chloro-2-nitropropane

C₃H₆ClNO₂CAS 594-71-8123.54 g/mol

Open in Covalent MOL file

Alkyl halide Nitro

Properties

Molecular formula: C₃H₆ClNO₂
Molar mass: 123.54 g/mol
Exact mass: 123.0087 Da
Density: 1.23 g/mL (at 19 °C)
Boiling point: 132 °C
logP: 1.24Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

594-71-8

SMILES

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

InChIKey

JQYFSFNSNVRUPY-UHFFFAOYSA-N

InChI

InChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3

Weigh it out

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

Names and synonyms

2 names

Propane, 2-chloro-2-nitro-
NSC 3642

Work with 2-Chloro-2-nitropropane

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

Same formula

2-Chloroethyl carbamate2114-18-3 Chloroalanine2731-73-9 N-Methylol-α-chloroacetamide2832-19-1 1-Chloro-1-nitropropane600-25-9

Elsewhere

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