chempirical

4-Methoxyphenyl isocyanate

C8H7NO2CAS 5416-93-3149.15 g/mol

Open in Covalent MOL file
ONO
EtherIsocyanate

Properties

Molecular formula
C8H7NO2
Molar mass
149.15 g/mol
Exact mass
149.0477 Da
Melting point
101 °C
Boiling point
47.6–47.8 °C (at 9.5 Torr)
logP
1.66Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
5416-93-3
SMILES
COc1ccc(N=C=O)cc1
InChIKey
FMDGXCSMDZMDHZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-isocyanato-4-methoxy-
  • Isocyanic acid, p-methoxyphenyl ester
  • 1-Isocyanato-4-methoxybenzene
  • Anisole, p-isocyanato-
  • p-Methoxyphenyl isocyanate
  • p-Anisyl isocyanate
  • 4-Anisyl isocyanate
  • 4-Isocyanatoanisole
  • NSC 7321

Work with 4-Methoxyphenyl 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

P-Phenylene diisocyanate104-49-463 % similar 4-Methoxyphenyl isothiocyanate2284-20-060 % similar 1-Ethoxy-4-isocyanatobenzene32459-62-459 % similar 2,4-Dimethoxyphenyl isocyanate84370-87-656 % similar 4-Methylphenyl isocyanate622-58-255 % similar 4-(Trifluoromethoxy)phenyl isocyanate35037-73-155 % similar Tris(p-isocyanatophenyl) monosulfophosphate4151-51-355 % similar 4-Chlorophenyl isocyanate104-12-152 % similar

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

Same formula

4-Nitrostyrene100-13-0 β-Nitrostyrene102-96-5 3-(3-Pyridinyl)-2-propenoic acid1126-74-5 3-Methoxyphenyl isocyanate18908-07-1 trans-3-(3-Pyridyl)acrylic acid19337-97-4 3-Methylbenzo[D]oxazol-2(3H)-one21892-80-8 5,6-Dihydroxyindole3131-52-0 5-Hydroxyoxindole3416-18-0

Elsewhere

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