C1=CC(=CC(=C1)CN=C=O)CN=C=O
CAS: 3634-83-1
Name: 1,3-bis(isocyanatomethyl)benzene
SMILES: C1=CC(=CC(=C1)CN=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: RTTZISZSHSCFRH-UHFFFAOYSA-N
Synonyms
1,3-Bis(isocyanatomethyl)benzene3634-83-1m-Xylylene diisocyanatem-Xylene diisocyanateTakenateM-XdiTakenate 500Benzene, 1,3-bis(isocyanatomethyl)-m-Xylidene diisocyanatem-Xylylendiisokyanatm-Phenylenedimethylene isocyanateDTXSID5038919m-Xylylendiisokyanat [Czech]1,3-Bis-(isokyanatomethyl)benzenISOCYANIC ACID, m-PHENYLENEDIMETHYLENE ESTEREINECS 222-852-4UNII-D85XJ1813JBRN 07818251,3-Bis-(isokyanatomethyl)benzen [Czech]D85XJ1813JDTXCID3018919EC 222-852-44-13-00-00293 (Beilstein Handbook Reference)BIS(ISOCYANATOMETHYL)BENZENE, 1,3-RefChem:72526222-852-4RTTZISZSHSCFRH-UHFFFAOYSA-Nm-xylylenediisocyanateBenzene, 1,3-diisocyanatomethyl-MFCD00019917
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