chempirical

2-Methyl-6-nitrophenol

C7H7NO3CAS 13073-29-5153.14 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
logP
1.61Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
13073-29-5
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])O
InChIKey
AQDKZPFDOWHRDZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3

Weigh it out

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

Work with 2-Methyl-6-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-Dinitrophenol573-56-872 % similar 3-Nitro-O-xylene83-41-066 % similar 2-Nitrotoluene88-72-265 % similar 2-Chloro-6-methyl-3-nitrophenol39183-20-564 % similar 2,3-Dinitrotoluene602-01-764 % similar 2-Bromo-6-nitrophenol13073-25-162 % similar 2-Chloro-1-methyl-3-nitrobenzene3970-40-962 % similar 2-Chloro-6-nitrophenol603-86-162 % 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 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0 3-Methyl-4-nitrophenol2581-34-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook