1-isocyanato-2-[(2-isocyanatophenyl)methyl]benzene

1-isocyanato-2-[(2-isocyanatophenyl)methyl]benzene

CAS: 2536-05-2

Formula: C15H10N2O2

SMILES: O=C=NC1=CC=CC=C1CC1=CC=CC=C1N=C=O

IUPAC: 1-isocyanato-2-[(2-isocyanatophenyl)methyl]benzene

InChI: InChI=1S/C15H10N2O2/c18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17-11-19/h1-8H,9H2

Composition: C (71.99%), H (4.03%), N (11.19%), O (12.79%)

Molar Mass: 250.257

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	250.07422757
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JIABEENURMZTTI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.94
Topological Polar Surface Area	58.86
Polarizability	26.3
Ring Count	2
Rotatable Bond Count	4

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