4-Methyl-2-nitrobenzonitrile

C₈H₆N₂O₂CAS 26830-95-5162.15 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: 96 °C
Boiling point: 134–137 °C
logP: 1.77Crippen estimate
Polar surface area: 66.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

26830-95-5

SMILES

Cc1ccc(C#N)c([N+](=O)[O-])c1

InChIKey

QGBSLPHQCUIZKK-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

4 names

Benzonitrile, 4-methyl-2-nitro-
p-Tolunitrile, 2-nitro-
4-Cyano-3-nitrotoluene
NSC 60828

Work with 4-Methyl-2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 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 2-Methyl-6-nitrobenzonitrile1885-76-3 1H-Pyrrolo[2,3-C]pyridine-2-carboxylic acid24334-20-1

Elsewhere

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