chempirical

3-Nitrobenzyl alcohol

C7H7NO3CAS 619-25-0153.14 g/mol

Open in Covalent MOL file
ON+O−HO
AlcoholNitro

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
Melting point
30.5 °C
Boiling point
175–180 °C
logP
1.09Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
619-25-0
SMILES
O=[N+]([O-])c1cccc(CO)c1
InChIKey
CWNPOQFCIIFQDM-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanol, 3-nitro-
  • Benzyl alcohol, m-nitro-
  • 3-Nitrobenzenemethanol
  • m-Nitrobenzyl alcohol
  • (3-Nitrophenyl)methanol
  • NSC 5388
  • m-Nitrophenylmethanol
  • m-(Hydroxymethyl)nitrobenzene

Work with 3-Nitrobenzyl alcohol

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

3,5-Dinitrobenzenemethanol71022-43-068 % similar 3-Nitrobenzyl bromide3958-57-465 % similar 3-Nitrobenzyl chloride619-23-865 % similar 3-Nitrophenylacetic acid1877-73-261 % similar 3-Nitrobenzylamine monohydrochloride26177-43-559 % similar (3-Nitrophenyl)acetonitrile621-50-159 % similar 4-Chloro-3-nitrobenzenemethanol55912-20-455 % similar 2-Chloro-5-nitrobenzenemethanol80866-80-455 % similar

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

Same formula

4-Nitroanisole100-17-4 Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 4-Methyl-2-nitrophenol119-33-5 2-Methyl-6-nitrophenol13073-29-5 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0

Elsewhere

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