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138705-79-0 | Benzenamine, 4-isocyanato-N-[(4-isocyanatophenyl)methylene]-, (E)- (9CI)
CAS No: 138705-79-0 Catalog No: AG00191N MDL No:
Product Description
Catalog Number:
AG00191N
Chemical Name:
Benzenamine, 4-isocyanato-N-[(4-isocyanatophenyl)methylene]-, (E)- (9CI)
CAS Number:
138705-79-0
Molecular Formula:
C15H9N3O2
Molecular Weight:
263.2509
IUPAC Name:
N,1-bis(4-isocyanatophenyl)methanimine
InChI:
InChI=1S/C15H9N3O2/c19-10-17-14-3-1-12(2-4-14)9-16-13-5-7-15(8-6-13)18-11-20/h1-9H
InChI Key:
NYPBHDQKNXWPAE-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)/N=C/c1ccc(cc1)N=C=O
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.256g/mol
Monoisotopic Mass:
263.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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