(3-Nitrophenyl)acetonitrile

C₈H₆N₂O₂CAS 621-50-1162.15 g/mol

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Nitrile Nitro Tertiary Amine

Properties

Molecular formula: C₈H₆N₂O₂
Molar mass: 162.15 g/mol
Exact mass: 162.0429 Da
Melting point: 63 °C
Boiling point: 160–165 °C (at 3 Torr)
logP: 1.66Crippen estimate
Polar surface area: 66.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

621-50-1

SMILES

N#CCc1cccc([N+](=O)[O-])c1

InChIKey

WAVKEPUFQMUGBP-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2

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Names and synonyms

8 names

Benzeneacetonitrile, 3-nitro-
Acetonitrile, (m-nitrophenyl)-
3-Nitrobenzeneacetonitrile
(m-Nitrophenyl)acetonitrile
3-Nitrobenzyl cyanide
m-Nitrobenzyl cyanide
NSC 91037
2-(3-Nitrophenyl)acetonitrile

Work with (3-Nitrophenyl)acetonitrile

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 2-Methyl-6-nitrobenzonitrile1885-76-3 1H-Pyrrolo[2,3-C]pyridine-2-carboxylic acid24334-20-1 3-Aminophthalimide2518-24-3

Elsewhere

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