chempirical

2-Fluoro-5-nitrophenyl isocyanate

C7H3FN2O3CAS 68622-14-0182.11 g/mol

Open in Covalent MOL file
N+OO−NOF
Aryl halideIsocyanateNitro

Properties

Molecular formula
C7H3FN2O3
Molar mass
182.11 g/mol
Exact mass
182.0128 Da
logP
1.70Crippen estimate
Polar surface area
72.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
68622-14-0
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])N=C=O)F
InChIKey
XCDYDLFUPMSLGZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3FN2O3/c8-6-2-1-5(10(12)13)3-7(6)9-4-11/h1-3H

Weigh it out

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

Work with 2-Fluoro-5-nitrophenyl 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

3,4-Difluoronitrobenzene369-34-658 % similar 4-Nitrophenyl isocyanate100-28-755 % similar 1,4-Difluoro-2-isocyanatobenzene39718-32-655 % similar 1-Fluoro-2,4-dinitrobenzene70-34-855 % similar 3-Nitrophenyl isocyanate3320-87-455 % similar 2-Fluoro-5-methylphenyl isocyanate190774-50-653 % similar 3-Chloro-4-fluoronitrobenzene350-30-153 % similar 2-Fluoro-5-nitrobenzenamine369-36-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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