2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile

C₁₄H₉ClFNOCAS 175204-10-1261.68 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₁₄H₉ClFNO
Molar mass: 261.68 g/mol
Exact mass: 261.0357 Da
logP: 3.93Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175204-10-1

SMILES

N#Cc1c(F)cccc1OCc1ccc(Cl)cc1

InChIKey

UCZCRTPNBWBCBM-UHFFFAOYSA-N

InChI

InChI=1S/C14H9ClFNO/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7H,9H2

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Names and synonyms

3 names

Benzonitrile, 2-[(4-chlorophenyl)methoxy]-6-fluoro-
2-Fluoro-6-(4-chlorobenzyloxy)benzonitrile
2-((4-Chlorobenzyl)oxy)-6-fluorobenzonitrile

Work with 2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile

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-6-(4-methylbenzyloxy)benzonitrile175204-09-874 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-657 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-752 % similar 2-Fluoro-6-phenoxybenzonitrile175204-06-551 % similar 2-Fluoro-6-(4-chlorophenylthio)benzonitrile175204-12-350 % similar 2,6-Difluorobenzonitrile1897-52-549 % similar 2-Fluoro-6-(4-fluorophenoxy)benzonitrile175204-07-648 % similar 2-Chloro-6-fluorobenzonitrile668-45-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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