chempirical

2-Phenoxyphenylisocyanate

C13H9NO2CAS 59377-20-7211.22 g/mol

Open in Covalent MOL file
ONO
EtherIsocyanate

Properties

Molecular formula
C13H9NO2
Molar mass
211.22 g/mol
Exact mass
211.0633 Da
Boiling point
162–164 °C (at 14 Torr)
logP
3.45Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
59377-20-7
SMILES
O=C=Nc1ccccc1Oc1ccccc1
InChIKey
KCHQIPPONLLUGU-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NO2/c15-10-14-12-8-4-5-9-13(12)16-11-6-2-1-3-7-11/h1-9H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1-isocyanato-2-phenoxy-
  • Isocyanic acid, o-phenoxyphenyl ester
  • 1-Isocyanato-2-phenoxybenzene
  • o-Phenoxyphenyl isocyanate

Work with 2-Phenoxyphenylisocyanate

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

2-Methoxyphenyl isocyanate700-87-861 % similar 2-Ethoxyphenyl isocyanate5395-71-156 % similar 2-Biphenyl isocyanate17337-13-250 % similar 1-Iodo-2-isocyanatobenzene128255-31-247 % similar 2-Fluorophenyl isocyanate16744-98-247 % similar 2-Chlorophenyl isocyanate3320-83-047 % similar 2-Methylphenyl isocyanate614-68-647 % similar 1,5-Naphthalene diisocyanate3173-72-647 % similar

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

Same formula

2-Nitrofluorene607-57-8 2-(2-Hydroxyphenyl)benzoxazole835-64-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook