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13753-48-5 | Benzamide, 4-isocyanato-N-(4-isocyanatophenyl)-
CAS No: 13753-48-5 Catalog No: AG0013I2 MDL No:
Product Description
Catalog Number:
AG0013I2
Chemical Name:
Benzamide, 4-isocyanato-N-(4-isocyanatophenyl)-
CAS Number:
13753-48-5
Molecular Formula:
C15H9N3O3
Molecular Weight:
279.2503
IUPAC Name:
4-isocyanato-N-(4-isocyanatophenyl)benzamide
InChI:
InChI=1S/C15H9N3O3/c19-9-16-12-3-1-11(2-4-12)15(21)18-14-7-5-13(6-8-14)17-10-20/h1-8H,(H,18,21)
InChI Key:
XXIBJMYGQAHPFY-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)NC(=O)c1ccc(cc1)N=C=O
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.255g/mol
Monoisotopic Mass:
279.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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