chempirical

2,6-Dimethylnitrobenzene

C8H9NO2CAS 81-20-9151.16 g/mol

Open in Covalent MOL file
N+OO−
Nitro

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
15 °C
Boiling point
226 °C
logP
2.21Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
81-20-9
SMILES
Cc1cccc(C)c1[N+](=O)[O-]
InChIKey
HDFQKJQEWGVKCQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3

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Names and synonyms

7 names
  • Benzene, 1,3-dimethyl-2-nitro-
  • m-Xylene, 2-nitro-
  • 1,3-Dimethyl-2-nitrobenzene
  • 2-Nitro-m-xylene
  • 2-Nitro-1,3-dimethylbenzene
  • 2-Nitro-1,3-xylene
  • NSC 9811

Work with 2,6-Dimethylnitrobenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dinitrotoluene602-01-778 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-075 % similar 3-Methyl-2-nitrophenol4920-77-872 % similar 1-Methoxy-3-methyl-2-nitrobenzene5345-42-670 % similar 3-Nitro-O-xylene83-41-062 % similar 3-Methyl-2-nitrobenzoic acid5437-38-762 % similar Nitromesitylene603-71-461 % similar 2-Nitrotoluene88-72-261 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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