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19759-70-7 | Benzenamine, 4-isocyanato-N,N-bis(4-isocyanatophenyl)-
CAS No: 19759-70-7 Catalog No: AG002AXC MDL No:
Product Description
Catalog Number:
AG002AXC
Chemical Name:
Benzenamine, 4-isocyanato-N,N-bis(4-isocyanatophenyl)-
CAS Number:
19759-70-7
Molecular Formula:
C21H12N4O3
Molecular Weight:
368.3450
IUPAC Name:
4-isocyanato-N,N-bis(4-isocyanatophenyl)aniline
InChI:
InChI=1S/C21H12N4O3/c26-13-22-16-1-7-19(8-2-16)25(20-9-3-17(4-10-20)23-14-27)21-11-5-18(6-12-21)24-15-28/h1-12H
InChI Key:
IIJYXXMUZSBGGR-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)N(c1ccc(cc1)N=C=O)c1ccc(cc1)N=C=O
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.091g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.352g/mol
Monoisotopic Mass:
368.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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