chempirical

2-Methyl-4-nitrophenol

C7H7NO3CAS 99-53-6153.14 g/mol

Open in Covalent MOL file
N+OO−HO
NitroPhenol

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
Melting point
96 °C
logP
1.61Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
99-53-6
SMILES
Cc1cc([N+](=O)[O-])ccc1O
InChIKey
KDQPMQNHVQVVMR-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Phenol, 2-methyl-4-nitro-
  • o-Cresol, 4-nitro-
  • p-Nitro-o-cresol
  • 4-Nitro-o-cresol
  • 4-Nitro-2-methylphenol
  • 2-Hydroxy-5-nitrotoluene
  • NSC 1022
  • 1-Hydroxy-2-methyl-4-nitrobenzene

Work with 2-Methyl-4-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-Methyl-5-nitrophenol5428-54-677 % similar 4-Nitrocatechol3316-09-470 % similar 4-Nitro-O-xylene99-51-470 % similar 2,4-Dinitrophenol51-28-566 % similar 1-Iodo-2-methyl-4-nitrobenzene5326-38-564 % similar 2,6-Dimethyl-4-nitrophenol2423-71-463 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-962 % similar 2-Fluoro-5-nitrotoluene455-88-962 % 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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