chempirical

2-Methoxyphenyl isocyanate

C8H7NO2CAS 700-87-8149.15 g/mol

Open in Covalent MOL file
ONO
EtherIsocyanate

Properties

Molecular formula
C8H7NO2
Molar mass
149.15 g/mol
Exact mass
149.0477 Da
Boiling point
94.8–95.5 °C (at 10 Torr)
logP
1.66Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
700-87-8
SMILES
COc1ccccc1N=C=O
InChIKey
SUVCZZADQDCIEQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-isocyanato-2-methoxy-
  • Isocyanic acid, o-methoxyphenyl ester
  • 1-Isocyanato-2-methoxybenzene
  • o-Methoxyphenyl isocyanate
  • o-Anisyl isocyanate

Work with 2-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

2-Ethoxyphenyl isocyanate5395-71-162 % similar 2,4-Dimethoxyphenyl isocyanate84370-87-662 % similar 2-Phenoxyphenylisocyanate59377-20-761 % similar 4-Chloro-2-isocyanato-1-methoxybenzene55440-54-558 % similar 2-Methylphenyl isocyanate614-68-653 % similar Toluene 2,6-diisocyanate91-08-750 % similar 1-Isocyanato-2-(1-methylethyl)benzene56309-56-949 % similar 1-Iodo-2-isocyanatobenzene128255-31-248 % 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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