2-Methyl-6-nitrobenzonitrile

C₈H₆N₂O₂CAS 1885-76-3162.15 g/mol

Open in Covalent MOL file

Nitrile Nitro Tertiary Amine

Properties

Molecular formula: C₈H₆N₂O₂
Molar mass: 162.15 g/mol
Exact mass: 162.0429 Da
Melting point: 109–110 °C
logP: 1.77Crippen estimate
Polar surface area: 66.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1885-76-3

SMILES

Cc1cccc([N+](=O)[O-])c1C#N

InChIKey

BOTPDHNZLRJZOO-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names

Benzonitrile, 2-methyl-6-nitro-
o-Tolunitrile, 6-nitro-
6-Methyl-2-nitrobenzonitrile
6-Nitro-o-tolunitrile
6-Nitro-o-toluonitrile
2-Cyano-3-nitrotoluene

Work with 2-Methyl-6-nitrobenzonitrile

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

Same formula

2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Benzimidazole-5-carboxylic acid15788-16-6 Quinoxalinedione15804-19-0 Pyrazolo[1,5-A]pyridine-3-carboxylic acid16205-46-2 N-Aminophthalimide1875-48-5 1H-Pyrrolo[2,3-C]pyridine-2-carboxylic acid24334-20-1 3-Aminophthalimide2518-24-3 4-Methyl-2-nitrobenzonitrile26830-95-5

Elsewhere

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