chempirical

2-Chloro-3,4-dimethoxybenzonitrile

C9H8ClNO2CAS 119413-61-5197.62 g/mol

Open in Covalent MOL file
ONClO
Aryl halideEtherNitrile

Properties

Molecular formula
C9H8ClNO2
Molar mass
197.62 g/mol
Exact mass
197.0244 Da
logP
2.23Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
119413-61-5
SMILES
COC1=C(C(=C(C=C1)C#N)Cl)OC
InChIKey
DVVLTABTKVOGCS-UHFFFAOYSA-N
InChI
InChI=1S/C9H8ClNO2/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4H,1-2H3

Weigh it out

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

Work with 2-Chloro-3,4-dimethoxybenzonitrile

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

2,3,4-Trimethoxybenzonitrile43020-38-869 % similar 2,3-Dimethoxybenzonitrile5653-62-362 % similar 5-Chloro-2-methoxybenzonitrile55877-79-754 % similar 4-Methoxy-1-naphthalenecarbonitrile5961-55-753 % similar 2,3-Difluoro-4-methoxybenzonitrile256417-12-651 % similar 2-Methoxybenzonitrile6609-56-950 % similar 2-Chloro-3,4-dimethoxybenzaldehyde5417-17-449 % similar 2,5-Dimethoxybenzonitrile5312-97-049 % similar

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

Elsewhere

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