chempirical

2-Nitrobenzyl alcohol

C7H7NO3CAS 612-25-9153.14 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
74 °C
Boiling point
270 °C
logP
1.09Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
612-25-9
SMILES
O=[N+]([O-])c1ccccc1CO
InChIKey
BWRBVBFLFQKBPT-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(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

7 names
  • Benzenemethanol, 2-nitro-
  • Benzyl alcohol, o-nitro-
  • 2-Nitrobenzenemethanol
  • o-Nitrobenzyl alcohol
  • o-(Hydroxymethyl)nitrobenzene
  • NSC 66512
  • (2-Nitrophenyl)methanol

Work with 2-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

2,2′-Dinitrodibenzyl16968-19-771 % similar 2-Nitrobenzeneethanol15121-84-371 % similar 2-Methyl-3-nitrobenzenemethanol23876-13-369 % similar 2-Nitrobenzyl bromide3958-60-965 % similar 1-Ethyl-2-nitrobenzene612-22-665 % similar 2-Nitrobenzyl chloride612-23-765 % similar 1,2-Dinitrobenzene528-29-062 % similar 2-Nitrobenzeneacetonitrile610-66-261 % 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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