3-Chloro-4-methoxybenzonitrile

C₈H₆ClNOCAS 102151-33-7167.59 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₈H₆ClNO
Molar mass: 167.59 g/mol
Exact mass: 167.0138 Da
logP: 2.22Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

102151-33-7

SMILES

COC1=C(C=C(C=C1)C#N)Cl

InChIKey

SUFOLDHSHRVSQV-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3

Weigh it out

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

Work with 3-Chloro-4-methoxybenzonitrile

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-Bromo-4-methoxybenzonitrile117572-79-960 % similar 3-Fluoro-4-methoxybenzonitrile331-62-460 % similar 3-Hydroxy-4-methoxybenzonitrile52805-46-660 % similar 3-Chloro-4-(trifluoromethoxy)benzonitrile129604-26-859 % similar 3,4-Dichlorobenzonitrile6574-99-858 % similar 3-Methoxy-4-methylbenzonitrile3556-60-357 % similar 3-Ethoxy-4-methoxybenzonitrile60758-86-357 % similar 3-Chloro-4-methylbenzonitrile21423-81-456 % similar

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

Same formula

5-Chlorooxindole17630-75-0 5-Chloro-2-methylbenzoxazole19219-99-9 3-Chloro-4-methylphenyl isocyanate28479-22-3 2-(3-Chlorophenoxy)acetonitrile43111-32-6 5-Chloro-2-methoxybenzonitrile55877-79-7 6-Chlorooxindole56341-37-8

Elsewhere

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