C1=CC(=CC=C1CN=C=O)CN=C=O
CAS: 1014-98-8
Name: 1,4-bis(isocyanatomethyl)benzene
SMILES: C1=CC(=CC=C1CN=C=O)CN=C=O

Molecular Processing

Molecular formula
C10H8N2O2
Molecular weight
188.19
Exact mass
188.0586
XLogP
1.36
TPSA
58.86
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
14
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
0.2
Molar refractivity
50.09

Supplementary Information

InChIKey: OHLKMGYGBHFODF-UHFFFAOYSA-N
Synonyms
ISOCYANIC ACID, p-XYLYLENE ESTER1014-98-8p-xylylene diisocyanateDTXSID60143907RefChem:1094249DTXCID30663981,4-xylylene diisocyanatep-Xylylene isocyanate1,4-bis(isocyanatomethyl)benzeneSCHEMBL21089NS00023060
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Involved in 8 reactions→

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