chempirical

2-Methyl-3-nitrophenol

C7H7NO3CAS 5460-31-1153.14 g/mol

Open in Covalent MOL file
OHN+OO−
NitroPhenol

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
Melting point
69 °C
logP
1.61Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
5460-31-1
SMILES
Cc1c(O)cccc1[N+](=O)[O-]
InChIKey
GAKLFAZBKQGUBO-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Phenol, 2-methyl-3-nitro-
  • o-Cresol, 3-nitro-
  • 6-Hydroxy-2-nitrotoluene
  • 3-Nitro-2-methylphenol
  • 3-Nitro-o-cresol
  • NSC 25009
  • 2-Hydroxy-6-nitrotoluene

Work with 2-Methyl-3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dinitrotoluene606-20-272 % similar 3-Nitro-O-xylene83-41-066 % similar Nitrophenol88-75-565 % similar 2-Methyl-3-nitrobenzenemethanol23876-13-363 % similar 2-Bromo-6-nitrotoluene55289-35-562 % similar 2-Methyl-3-nitroaniline603-83-862 % similar 1-Chloro-2-methyl-3-nitrobenzene83-42-162 % similar 2-Amino-3-nitrophenol603-85-060 % 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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