chempirical

Bromonitromethane

CH2BrNO2CAS 563-70-2139.94 g/mol

Open in Covalent MOL file
ON+O−Br
Alkyl halideNitro

Properties

Molecular formula
CH2BrNO2
Molar mass
139.94 g/mol
Exact mass
138.9269 Da
Melting point
−28 °C
Boiling point
149 °C
logP
0.62Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
563-70-2
SMILES
O=[N+]([O-])CBr
InChIKey
DNPRVXJGNANVCZ-UHFFFAOYSA-N
InChI
InChI=1S/CH2BrNO2/c2-1-3(4)5/h1H2

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Names and synonyms

3 names
  • Methane, bromonitro-
  • Nitrobromomethane
  • α-Bromonitromethane

Work with Bromonitromethane

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

Similar compounds

Nitroethane79-24-343 % similar 1-Nitropropane108-03-239 % similar 1-Nitrobutane627-05-436 % similar Beta-nitropropionic acid504-88-132 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook