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1,4-diisocyanatobenzene

1,4-diisocyanatobenzene

CAS: 104-49-4

Formula: C8H4N2O2

SMILES: O=C=NC1=CC=C(C=C1)N=C=O

IUPAC: 1,4-diisocyanatobenzene

InChI: InChI=1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H

Composition: C (60.01%), H (2.52%), N (17.49%), O (19.98%)

Molar Mass: 160.132

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 160.027277377
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ALQLPWJFHRMHIU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.2
Topological Polar Surface Area 58.86
Polarizability 15
Ring Count 1
Rotatable Bond Count 2

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