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Home > Nitro Compounds > 102184-65-6
102184-65-6 | Benzonitrile, 4,4'-[(4-nitrophenyl)imino]bis-
CAS No: 102184-65-6 Catalog No: AG0006T3 MDL No:
Product Description
Catalog Number:
AG0006T3
Chemical Name:
Benzonitrile, 4,4'-[(4-nitrophenyl)imino]bis-
CAS Number:
102184-65-6
Molecular Formula:
C20H12N4O2
Molecular Weight:
340.3349
IUPAC Name:
4-(4-cyano-N-(4-nitrophenyl)anilino)benzonitrile
InChI:
InChI=1S/C20H12N4O2/c21-13-15-1-5-17(6-2-15)23(18-7-3-16(14-22)4-8-18)19-9-11-20(12-10-19)24(25)26/h1-12H
InChI Key:
FKCRBDFERWUHPO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)C#N
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.342g/mol
Monoisotopic Mass:
340.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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