chempirical

3-Methyl-2-nitrophenol

C7H7NO3CAS 4920-77-8153.14 g/mol

Open in Covalent MOL file
HON+OO−
NitroPhenol

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
Melting point
35–39 °C
Boiling point
106–108 °C
logP
1.61Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
4920-77-8
SMILES
Cc1cccc(O)c1[N+](=O)[O-]
InChIKey
QIORDSKCCHRSSD-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3

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

Names and synonyms

9 names
  • Phenol, 3-methyl-2-nitro-
  • m-Cresol, 2-nitro-
  • 3-Hydroxy-2-nitrotoluene
  • 2-Nitro-3-methylphenol
  • 2-Nitro-m-cresol
  • 2-Hydroxy-6-methylnitrobenzene
  • NSC 41206
  • 2-Nitro-3-hydroxytoluene
  • 2-Methyl-6-hydroxynitrobenzene

Work with 3-Methyl-2-nitrophenol

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-Nitroresorcinol601-89-872 % similar 2,6-Dimethylnitrobenzene81-20-972 % similar 2,3-Dinitrotoluene602-01-764 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-062 % similar 3-Fluoro-2-nitrophenol385-01-360 % similar 1-Methoxy-3-methyl-2-nitrobenzene5345-42-658 % similar 3-Methyl-2-nitrobenzoic acid5437-38-756 % similar 2-Methyl-3-nitrophenol5460-31-156 % 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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