2,4-Difluoro-3-methoxybenzonitrile

C₈H₅F₂NOCAS 220353-20-8169.13 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₈H₅F₂NO
Molar mass: 169.13 g/mol
Exact mass: 169.0339 Da
Melting point: 41–42 °C
logP: 1.85Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

220353-20-8

SMILES

COc1c(F)ccc(C#N)c1F

InChIKey

RWTCBZZFDKXOLX-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F2NO/c1-12-8-6(9)3-2-5(4-11)7(8)10/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzonitrile, 2,4-difluoro-3-methoxy-
2,4-Difluoro-3-methoxy-benzonitrile
3-Cyano-2,6-difluoroanisole

Work with 2,4-Difluoro-3-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

2-Fluoro-5-methoxybenzonitrile127667-01-054 % similar 2-Fluoro-4-methoxybenzonitrile94610-82-954 % similar 2,3,4-Trimethoxybenzonitrile43020-38-850 % similar 2,3-Difluorobenzonitrile21524-39-049 % similar 4-Fluoro-3-methoxybenzonitrile243128-37-246 % similar 1,3-Difluoro-2-methoxybenzene437-82-145 % similar 2-Chloro-3,4-dimethoxybenzonitrile119413-61-545 % similar 2,3-Dimethoxybenzonitrile5653-62-345 % similar

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

Same formula

2,6-Difluoro-4-methoxybenzonitrile123843-66-3 2,3-Difluoro-4-methoxybenzonitrile256417-12-6 4,5-Difluoro-2-methoxybenzonitrile425702-28-9

Elsewhere

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