COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O
CAS: 91-93-0
Name: 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O

Molecular Processing

Molecular formula
C16H12N2O4
Molecular weight
296.28
Exact mass
296.0797
XLogP
3.31
TPSA
77.32
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
80.55

Supplementary Information

InChIKey: QZWKEPYTBWZJJA-UHFFFAOYSA-N
Synonyms
91-93-03,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATEDianisidine diisocyanate3,3'-Dimethoxy-4,4'-biphenylene diisocyanateDADINCI-C021754,4'-Diisocyanato-3,3'-dimethoxy-1,1'-biphenylNSC 50401,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethoxy-1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzeneIsocyanic acid, ester with O,O'-dimethoxybiphenylDTXSID60204843,3'-Dimethoxy-4,4'-diphenylyl isocyanate3,3'-Dimethoxy-4,4'-biphenylylene isocyanate3,3'-Dimethoxy-4,4'-biphenylylene isocyanic acid ester5AC9L5Y28YIsocyanic acid, 3,3'-dimethoxy-4,4'-biphenylylene esterNSC-50404,4'-diisocyanato-3,3'-dimethoxybiphenylCCRIS 250HSDB 4103Dimethoxybenzidine-4,4'-diisocyanateBRN 0928196UNII-5AC9L5Y28YAI3-52494Isocyanic acid, 3,3'-dimethoxy-4,4'-biphenylene ester3,3'-Dimethoxybiphenyl-4,4'-diisocyanate3,3'-dimethoxy-4,4'-biphenylenediisocyanate3,3'-Dimethoxy-4,4'-diphenylene diisocyanate3,4'-biphenyl diisocyanate
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