P-ETHYLPHENYL ISOCYANATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G7N9K55SX2
EPA CompTox DTXSID60177702

Structure

InChI Key FWPYUSLQCQDLJR-UHFFFAOYSA-N
Smiles CCc1ccc(cc1)N=C=O
InChI
InChI=1S/C9H9NO/c1-2-8-3-5-9(6-4-8)10-7-11/h3-6H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9N1O1
Molecular Weight 147.07
AlogP 2.22
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 29.43
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 23138-50-3
NORMAN SUSDAT
FDA SRS G7N9K55SX2
PubChem 90007
ChemSpider 81253.0
CONTENTS