4-[(2-Chloro-6-fluorophenyl)methoxy]benzeneacetonitrile

C₁₅H₁₁ClFNOCAS 175135-35-0275.71 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₁₅H₁₁ClFNO
Molar mass: 275.71 g/mol
Exact mass: 275.0513 Da
logP: 4.12Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H331 Toxic if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

175135-35-0

SMILES

N#CCc1ccc(OCc2c(F)cccc2Cl)cc1

InChIKey

IMYWPHZDFVUXGJ-UHFFFAOYSA-N

InChI

InChI=1S/C15H11ClFNO/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7H,8,10H2

Weigh it out

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

Names and synonyms

3 names

Benzeneacetonitrile, 4-[(2-chloro-6-fluorophenyl)methoxy]-
2-[4-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]acetonitrile
2-[4-[(2-Chloro-6-fluorobenzyl)oxy]phenyl]acetonitrile

Work with 4-[(2-Chloro-6-fluorophenyl)methoxy]benzeneacetonitrile

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-Chloro-6-fluorobenzeneacetonitrile75279-55-963 % similar 4-[(2-Chloro-6-fluorophenyl)methoxy]benzaldehyde172932-10-457 % similar 4-Benzyloxyphenylacetonitrile838-96-055 % similar (4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-353 % similar 2,6-Difluorobenzeneacetonitrile654-01-350 % similar 2,6-Dichlorobenzeneacetonitrile3215-64-348 % similar 3-Benzyloxyphenylacetonitrile20967-96-846 % similar 3-Chloro-2,6-difluorophenylacetonitrile261762-55-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook