3-Methoxy-2-nitro benzonitrile

C₈H₆N₂O₃CAS 142596-50-7178.15 g/mol

Open in Covalent MOL file

Ether Nitrile Nitro

Properties

Molecular formula: C₈H₆N₂O₃
Molar mass: 178.15 g/mol
Exact mass: 178.0378 Da
logP: 1.48Crippen estimate
Polar surface area: 76.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

142596-50-7

SMILES

COC1=CC=CC(=C1[N+](=O)[O-])C#N

InChIKey

OXWWZQUPPXKYQB-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O3/c1-13-7-4-2-3-6(5-9)8(7)10(11)12/h2-4H,1H3

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Names and synonyms

1 names

3-Methoxy-2-nitrobenzonitrile

Work with 3-Methoxy-2-nitro benzonitrile

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

3-Fluoro-2-nitrobenzonitrile1000339-52-560 % similar 1-Methoxy-3-methyl-2-nitrobenzene5345-42-659 % similar 4,5-Dimethoxy-2-nitrobenzonitrile102714-71-659 % similar 2-Methoxybenzonitrile6609-56-957 % similar 2,3-Dimethoxybenzonitrile5653-62-355 % similar O-Nitroanisole91-23-655 % similar 3-Methoxy-2-nitrobenzaldehyde53055-05-355 % similar 2-Nitrobenzonitrile612-24-853 % similar

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

Same formula

2-Cyano-5-nitroanisole101084-96-2 6-Nitro-isoindolin-1-one110568-64-4 4-Isocyanato-1-methyl-2-nitrobenzene13471-69-7 2-(4-Nitrophenoxy)acetonitrile33901-46-1 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-3 2-Methyl-6-nitrobenzoxazole5683-43-2

Elsewhere

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