CC1=C(C=CC=C1N=C=O)N=C=O
CAS: 91-08-7
Name: 1,3-diisocyanato-2-methylbenzene
SMILES: CC1=C(C=CC=C1N=C=O)N=C=O

Molecular Processing

Molecular formula
C9H6N2O2
Molecular weight
174.16
Exact mass
174.0429
XLogP
1.93
TPSA
58.86
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
46.74

Supplementary Information

InChIKey: RUELTTOHQODFPA-UHFFFAOYSA-N
Synonyms
2,6-Diisocyanatotoluene91-08-7Toluene-2,6-diisocyanateToluene 2,6-diisocyanate2,6-TOLUENE DIISOCYANATE2,6-TDIm-Tolylene diisocyanateBenzene, 1,3-diisocyanato-2-methyl-meta-Tolylene diisocyanate2,6-Diisocyanato-1-methylbenzene2-Methyl-meta-phenylene isocyanateTolylene 2,6-diisocyanateDTXSID2026157Isocyanic acid, 2-methyl-meta-phenylene esterBenzene, 2,6-diisocyanato-1-methyl-CHEBI:53557Isocyanic acid, 2-methyl-m-phenylene ester78243HXH5ODTXCID1061572-Methyl-m-phenylene isocyanate2,6-toluene-diisocyanateHylene ticRefChem:445869202-039-01,3-Diisocyanato-2-methylbenzene2-Methyl-m-phenylene diisocyanateTolylene-2,6-diisocyanate2,6-toluenediisocyanate1,3-diisocyanato-2-methyl-benzeneMFCD00002010
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Involved in 14 reactions→

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