Toluene 2,4-Diisocyanate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 175
Total Number of Articles : 192
PubChem 11443
Molecular Formula

C9H6N2O2

SMILES

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

InChI

InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3

synonyms
  • 584-84-9
  • 2,4-Diisocyanato-1-methylbenzene
  • TOLUENE DIISOCYANATE
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Properties
Property Value
MW 174.16 g/mol
HBD 0
HBA 4
Rotatable Bond Count 2
Exact Mass 174.042927438 g/mol
Monoisotopic Mass 174.042927438 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 265
xlogp 3.9
Topological Polar Surface Area 58.9