1-Fluoro-4-(isocyanatomethyl)benzene

C₈H₆FNOCAS 132740-43-3151.14 g/mol

Open in Covalent MOL file

Aryl halide Isocyanate

Properties

Molecular formula: C₈H₆FNO
Molar mass: 151.14 g/mol
Exact mass: 151.0433 Da
logP: 1.66Crippen estimate
Polar surface area: 29.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

132740-43-3

SMILES

C1=CC(=CC=C1CN=C=O)F

InChIKey

HHSIWJYERNCLKQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2

Weigh it out

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

Names and synonyms

1 names

4-Fluorobenzyl isocyanate

Work with 1-Fluoro-4-(isocyanatomethyl)benzene

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

Benzyl isocyanate3173-56-661 % similar 1-Fluoro-4-(isothiocyanatomethyl)benzene2740-88-760 % similar M-Xylylene diisocyanate3634-83-153 % similar 4-Fluorophenyl isocyanate1195-45-550 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-144 % similar 4-Fluoro-N-methylbenzenemethanamine405-66-341 % similar 4-Fluorobenzeneacetonitrile459-22-341 % similar 4-Fluorobenzylamine140-75-040 % 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 5-Fluoro-2-methoxybenzonitrile189628-38-4 4-Fluoro-3-methoxybenzonitrile243128-37-2 3-Fluoro-4-methoxybenzonitrile331-62-4 5-Fluoro-1,3-dihydroindol-2-one56341-41-4 5-Fluoro-2-methylphenyl isocyanate67191-93-9 7-Fluoro-1,3-dihydro-2H-indol-2-one71294-03-6

Elsewhere

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