chempirical

5-Fluoro-2-methylphenyl isocyanate

C8H6FNOCAS 67191-93-9151.14 g/mol

Open in Covalent MOL file
FNO
Aryl halideIsocyanate

Properties

Molecular formula
C8H6FNO
Molar mass
151.14 g/mol
Exact mass
151.0433 Da
Boiling point
74 °C (at 14 Torr)
logP
2.10Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
67191-93-9
SMILES
Cc1ccc(F)cc1N=C=O
InChIKey
KRAMFLATTKXGOW-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 4-fluoro-2-isocyanato-1-methyl-
  • 4-Fluoro-2-isocyanato-1-methylbenzene
  • 1-Fluoro-3-isocyanato-4-methylbenzene

Work with 5-Fluoro-2-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

4-Fluoro-2-isothiocyanato-1-methylbenzene175205-39-765 % similar 1,4-Difluoro-2-isocyanatobenzene39718-32-664 % similar 2,5-Dimethylphenyl isocyanate40397-98-664 % similar Toluene diisocyanate584-84-964 % similar 2-Methylphenyl isocyanate614-68-655 % similar 3,3′-Dimethylbiphenyl 4,4′-diisocyanate91-97-451 % similar 3-Fluorophenyl isocyanate404-71-750 % similar 4-Fluorophenyl isocyanate1195-45-548 % 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-3-methoxybenzonitrile243128-37-2 3-Fluoro-4-methoxybenzonitrile331-62-4 5-Fluoro-1,3-dihydroindol-2-one56341-41-4 7-Fluoro-1,3-dihydro-2H-indol-2-one71294-03-6

Elsewhere

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