4-tolyl isocyanate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 4
PubChem 69325
Molecular Formula

C8H7NO

SMILES

CC1=CC=C(C=C1)N=C=O

InChI

InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3

synonyms
  • p-Tolyl isocyanate
  • 622-58-2
  • 1-Isocyanato-4-methylbenzene
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Properties
Property Value
MW 133.15 g/mol
HBD 0
HBA 2
Rotatable Bond Count 1
Exact Mass 133.052763847 g/mol
Monoisotopic Mass 133.052763847 g/mol
Heavy Atom Count 10
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 141
xlogp 3.3
Topological Polar Surface Area 29.4