5-Fluoro-2-methoxybenzonitrile

C₈H₆FNOCAS 189628-38-4151.14 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₈H₆FNO
Molar mass: 151.14 g/mol
Exact mass: 151.0433 Da
logP: 1.71Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed13% of notifiers
H312 Harmful in contact with skin13% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled13% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

189628-38-4

SMILES

COc1ccc(F)cc1C#N

InChIKey

XNCVSNKXADJGOG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 5-fluoro-2-methoxy-
3-Fluoro-6-methoxybenzonitrile

Work with 5-Fluoro-2-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

2,5-Dimethoxybenzonitrile5312-97-064 % similar 5-Bromo-2-methoxybenzonitrile144649-99-060 % similar 5-Chloro-2-methoxybenzonitrile55877-79-760 % similar 2-Methoxy-5-(trifluoromethyl)benzonitrile34636-92-559 % similar 4,5-Difluoro-2-methoxybenzonitrile425702-28-959 % similar 4-Fluoro-1,2-dimethoxybenzene398-62-958 % similar 4-Fluoro-1,2-benzenedicarbonitrile65610-14-258 % similar 2,3-Difluoro-4-methoxybenzonitrile256417-12-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-methylphenyl isocyanate102561-42-2 2-Fluoro-5-methoxybenzonitrile127667-01-0 1-Fluoro-4-(isocyanatomethyl)benzene132740-43-3 2-Fluoro-5-methylphenyl isocyanate190774-50-6 4-Fluoro-2-methoxybenzonitrile191014-55-8 4-Cyano-2-fluorobenzyl alcohol219873-06-0 4-Fluoro-3-methoxybenzonitrile243128-37-2 3-Fluoro-4-methoxybenzonitrile331-62-4

Elsewhere

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