chempirical

2-Ethoxyphenyl isocyanate

C9H9NO2CAS 5395-71-1163.18 g/mol

Open in Covalent MOL file
ONO
EtherIsocyanate

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
logP
2.05Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
5395-71-1
SMILES
CCOc1ccccc1N=C=O
InChIKey
BUIQXUQLYZPMLS-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c1-2-12-9-6-4-3-5-8(9)10-7-11/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-ethoxy-2-isocyanato-
  • Isocyanic acid, o-ethoxyphenyl ester
  • 1-Ethoxy-2-isocyanatobenzene
  • o-Ethoxyphenyl isocyanate
  • NSC 4144

Work with 2-Ethoxyphenyl 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

1-Ethoxy-2-isothiocyanatobenzene23163-84-066 % similar 2-Methoxyphenyl isocyanate700-87-862 % similar 2-Phenoxyphenylisocyanate59377-20-756 % similar 1,2-Diethoxybenzene2050-46-653 % similar 1-Ethoxy-4-isocyanatobenzene32459-62-451 % similar 2-Methylphenyl isocyanate614-68-649 % similar 2-Ethoxybenzonitrile6609-57-046 % similar Toluene 2,6-diisocyanate91-08-746 % similar

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

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7 3,5-Dimethoxybenzonitrile19179-31-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook