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Home > Nitro Compounds > 102387-17-7
102387-17-7 | Benzamide, 4-cyano-N-(4,4'-dinitro[1,1'-biphenyl]-2-yl)-
CAS No: 102387-17-7 Catalog No: AG0007BE MDL No:
Product Description
Catalog Number:
AG0007BE
Chemical Name:
Benzamide, 4-cyano-N-(4,4'-dinitro[1,1'-biphenyl]-2-yl)-
CAS Number:
102387-17-7
Molecular Formula:
C20H12N4O5
Molecular Weight:
388.3331
IUPAC Name:
4-cyano-N-[5-nitro-2-(4-nitrophenyl)phenyl]benzamide
InChI:
InChI=1S/C20H12N4O5/c21-12-13-1-3-15(4-2-13)20(25)22-19-11-17(24(28)29)9-10-18(19)14-5-7-16(8-6-14)23(26)27/h1-11H,(H,22,25)
InChI Key:
OJADUYXHVUCSEM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.081g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.339g/mol
Monoisotopic Mass:
388.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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