2-Cyano-5-nitroanisole

C₈H₆N₂O₃CAS 101084-96-2178.15 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

101084-96-2

SMILES

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

InChIKey

MLIKCKXLGYEGAO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Methoxy-4-nitrobenzonitrile

Work with 2-Cyano-5-nitroanisole

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-Nitrophthalonitrile31643-49-965 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-165 % similar 2-Methoxy-4-nitrophenol3251-56-763 % similar 4,5-Dimethoxy-2-nitrobenzonitrile102714-71-661 % similar 2-Methoxy-1-methyl-4-nitrobenzene13120-77-960 % similar 2-Methoxy-4-nitroaniline97-52-960 % similar 1-Chloro-2-methoxy-4-nitrobenzene1009-36-559 % similar 2-Cyano-4-nitroaniline17420-30-359 % similar

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

Same formula

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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