chempirical

3-Nitrobenzaldehyde

C7H5NO3CAS 99-61-6151.12 g/mol

Open in Covalent MOL file
ON+OO−
AldehydeNitro

Properties

Molecular formula
C7H5NO3
Molar mass
151.12 g/mol
Exact mass
151.0269 Da
Melting point
58.5 °C
Boiling point
164 °C
logP
1.41Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
99-61-6
SMILES
O=Cc1cccc([N+](=O)[O-])c1
InChIKey
ZETIVVHRRQLWFW-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H

Weigh it out

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

Names and synonyms

7 names
  • Benzaldehyde, 3-nitro-
  • Benzaldehyde, m-nitro-
  • m-Nitrobenzaldehyde
  • 5-Nitrobenzaldehyde
  • NSC 5504
  • 3-Nitrophenylcarboxaldehyde
  • 3-Nitrobenzenecarboxaldehyde

Work with 3-Nitrobenzaldehyde

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

3-Nitrostyrene586-39-067 % similar 1,3-Dinitrobenzene99-65-064 % similar 3-(3-Nitrophenyl)-2-propenoic acid555-68-055 % similar 1-Fluoro-3-nitrobenzene402-67-555 % similar 4-Bromo-3-nitrobenzaldehyde163596-75-654 % similar 4-Chloro-3-nitrobenzaldehyde16588-34-454 % similar 2-Chloro-5-nitrobenzaldehyde6361-21-354 % similar 5-(3-Nitrophenyl)-2-furaldehyde13148-43-154 % similar

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

Same formula

2-Nitrobenzaldehyde552-89-6 4-Nitrobenzaldehyde555-16-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia