2-Fluoro-5-methylphenyl isocyanate

C₈H₆FNOCAS 190774-50-6151.14 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: 2.10Crippen estimate
Polar surface area: 29.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

190774-50-6

SMILES

CC1=CC(=C(C=C1)F)N=C=O

InChIKey

GLSUJZPVKMKUPJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Fluoro-5-methylphenyl isocyanate

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

1,4-Difluoro-2-isocyanatobenzene39718-32-664 % similar 2,5-Dimethylphenyl isocyanate40397-98-664 % similar 2-Fluorophenyl isocyanate16744-98-255 % similar 3-Methylphenyl isocyanate621-29-449 % similar 4-Methylphenyl isocyanate622-58-248 % similar 3,4-Difluorotoluene2927-34-648 % similar 5-Fluoro-2-methylphenyl isocyanate67191-93-947 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-344 % 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 5-Fluoro-2-methoxybenzonitrile189628-38-4 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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