4-Methoxy-2-nitrobenzonitrile

C₈H₆N₂O₃CAS 38469-83-9178.15 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

38469-83-9

SMILES

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

InChIKey

UUYPUFCWSUBTFP-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 4-Methoxy-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,5-Dimethoxy-2-nitrobenzonitrile102714-71-665 % similar 4-Methyl-2-nitrobenzonitrile26830-95-563 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-462 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-560 % similar 4-Fluoro-2-nitrobenzonitrile80517-21-160 % similar 4-Methoxy-2-nitroaniline96-96-860 % similar 1-Chloro-4-methoxy-2-nitrobenzene10298-80-359 % similar 4-Methoxy-2-nitrophenol1568-70-359 % 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 3-Methoxy-2-nitro benzonitrile142596-50-7 5-Aminoisatoic anhydride169037-24-5 5-Nitro-2-oxindole20870-79-5 7-Nitrooxindole25369-31-7 2-(4-Nitrophenoxy)acetonitrile33901-46-1

Elsewhere

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