chempirical

5-Methyl-2-nitrophenol

C7H7NO3CAS 700-38-9153.14 g/mol

Open in Covalent MOL file
N+OO−OH
NitroPhenol

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
Melting point
53 °C
logP
1.61Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
700-38-9
SMILES
Cc1ccc([N+](=O)[O-])c(O)c1
InChIKey
NQXUSSVLFOBRSE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Phenol, 5-methyl-2-nitro-
  • m-Cresol, 6-nitro-
  • 2-Nitro-5-methylphenol
  • 3-Methyl-6-nitrophenol
  • 6-Nitro-m-cresol
  • 3-Hydroxy-4-nitrotoluene
  • 6-Nitro-3-methylphenol
  • NSC 3142
  • 2-Hydroxy-4-methyl-1-nitrobenzene

Work with 5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dinitrotoluene610-39-968 % similar 2,5-Dinitrophenol329-71-564 % similar 4-Nitro-M-xylene89-87-264 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-762 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-460 % similar 5-Fluoro-2-nitrophenol446-36-660 % similar 5-Methyl-2-nitroaniline578-46-160 % similar 5-Methoxy-2-nitrophenol704-14-359 % 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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