CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O
CAS: 91-97-4
Name: 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O

Molecular Processing

Molecular formula
C16H12N2O2
Molecular weight
264.28
Exact mass
264.0899
XLogP
3.91
TPSA
58.86
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
76.92

Supplementary Information

InChIKey: ICLCCFKUSALICQ-UHFFFAOYSA-N
Synonyms
91-97-44,4'-Diisocyanato-3,3'-dimethylbiphenylBitolylene diisocyanate3,3'-Dimethyl-4,4'-biphenylene diisocyanateNacconate 2003,3'-Dimethyl-4,4'-diphenylene diisocyanate3,3'-Bitolylene-4,4'-diisocyanate1,1'-BIPHENYL, 4,4'-DIISOCYANATO-3,3'-DIMETHYL-3,3'-Dimethylbiphenyl 4,4'-diisocyanate4,4'-Diisocyanato-3,3'-bitolylNSC 9599CCRIS 89073,3'-Dimethyl-4,4'-biphenylene isocyanateEINECS 202-112-7UNII-9L950NB0HN3,3'-Dimethyl-4,4'-biphenylylene diisocyanateBRN 27437109L950NB0HNIsocyanic acid, 3,3'-dimethyl-4,4'-biphenylene esterNSC-9599Isocyanic acid, 3,3'-dimethyl-4,4'-biphenylylene ester3,3'-Dimethyl-4,4'-diphenylenediisocyanateDTXSID7041463EC 202-112-74-13-00-00424 (Beilstein Handbook Reference)3,3'-Dimethyl-4,4'-diphenylenediisocyanate [Diisocyanates]3,3'-DIMETHYL-4,4'-DIPHENYLENEDIISOCYANATE (DIISOCYANATES)RefChem:120555DTXCID5021463isocyanic acid, 3,3'-dimethyl-4,4'-biphenylylene ester (7CI,8CI)
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