chempirical

2-Methyl-3-nitrobenzenemethanol

C8H9NO3CAS 23876-13-3167.16 g/mol

Open in Covalent MOL file
OHN+OO−
AlcoholNitro

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
66–68 °C
logP
1.40Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
23876-13-3
SMILES
Cc1c(CO)cccc1[N+](=O)[O-]
InChIKey
QJANIQCEDPJNLO-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,10H,5H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzenemethanol, 2-methyl-3-nitro-
  • Benzyl alcohol, 2-methyl-3-nitro-
  • 2-Methyl-3-nitrobenzyl alcohol
  • 3-Hydroxymethyl-2-methyl-1-nitrobenzene
  • (2-Methyl-3-nitrophenyl)methanol

Work with 2-Methyl-3-nitrobenzenemethanol

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

1-(Chloromethyl)-2-methyl-3-nitrobenzene60468-54-471 % similar 2,6-Dinitrotoluene606-20-270 % similar 2-Nitrobenzyl alcohol612-25-969 % similar 2-Methyl-3-nitrobenzeneacetic acid23876-15-567 % similar 3-Nitro-O-xylene83-41-064 % similar 2-Methyl-3-nitrophenol5460-31-163 % similar 2-Bromo-6-nitrotoluene55289-35-560 % similar 2-Methyl-3-nitroaniline603-83-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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