4-Fluoro-2-methylbenzonitrile

C₈H₆FNCAS 147754-12-9135.14 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₆FN
Molar mass: 135.14 g/mol
Exact mass: 135.0484 Da
logP: 2.01Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

147754-12-9

SMILES

Cc1cc(F)ccc1C#N

InChIKey

BJBXUIUJKPOZLV-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

Benzonitrile, 4-fluoro-2-methyl-

Work with 4-Fluoro-2-methylbenzonitrile

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-Fluoro-1,2-benzenedicarbonitrile65610-14-264 % similar 2,4-Dimethylbenzonitrile21789-36-660 % similar 2,4-Difluorobenzonitrile3939-09-160 % similar 2-Bromo-4-fluorobenzonitrile36282-26-556 % similar 4-Chloro-2-methylbenzonitrile50712-68-056 % similar 2-Chloro-4-fluorobenzonitrile60702-69-456 % similar 2,5-Difluorobenzonitrile64248-64-255 % similar 4-Fluoro-1,2-dimethylbenzene452-64-254 % similar

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

Same formula

4-Fluoro-3-methylbenzonitrile185147-08-4 2-Fluorobenzeneacetonitrile326-62-5 7-Fluoro-1H-indole387-44-0 5-Fluoroindole399-52-0 4-Fluorobenzeneacetonitrile459-22-3 3-Fluorobenzeneacetonitrile501-00-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook