4-Phenoxyphenyl isocyanate

C₁₃H₉NO₂CAS 59377-19-4211.22 g/mol

Open in Covalent MOL file

Ether Isocyanate

Properties

Molecular formula: C₁₃H₉NO₂
Molar mass: 211.22 g/mol
Exact mass: 211.0633 Da
logP: 3.45Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

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

59377-19-4

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N=C=O

InChIKey

PNBUGOFIKAHZRW-UHFFFAOYSA-N

InChI

InChI=1S/C13H9NO2/c15-10-14-11-6-8-13(9-7-11)16-12-4-2-1-3-5-12/h1-9H

Weigh it out

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

Work with 4-Phenoxyphenyl 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

Phenyl isocyanate103-71-965 % similar 4-(Benzyloxy)phenyl isocyanate50528-73-962 % similar 1-Isothiocyanato-4-phenoxybenzene3529-87-161 % similar p-Phenylene diisocyanate104-49-460 % similar 4-Methoxyphenyl isocyanate5416-93-358 % similar 1-Ethoxy-4-isocyanatobenzene32459-62-453 % similar 4-(Trifluoromethoxy)phenyl isocyanate35037-73-153 % similar Tris(p-isocyanatophenyl) monosulfophosphate4151-51-353 % similar

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

Same formula

2-Phenoxyphenylisocyanate59377-20-7 2-Nitrofluorene607-57-8 2-(2-Hydroxyphenyl)benzoxazole835-64-3

Elsewhere

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