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116473-73-5 | Benzonitrile, 2,2'-(2,5-dioxo-1,4-piperazinediyl)bis-
CAS No: 116473-73-5 Catalog No: AG000CKD MDL No:
Product Description
Catalog Number:
AG000CKD
Chemical Name:
Benzonitrile, 2,2'-(2,5-dioxo-1,4-piperazinediyl)bis-
CAS Number:
116473-73-5
Molecular Formula:
C18H12N4O2
Molecular Weight:
316.3135
IUPAC Name:
2-[4-(2-cyanophenyl)-2,5-dioxopiperazin-1-yl]benzonitrile
InChI:
InChI=1S/C18H12N4O2/c19-9-13-5-1-3-7-15(13)21-11-18(24)22(12-17(21)23)16-8-4-2-6-14(16)10-20/h1-8H,11-12H2
InChI Key:
HGMQHBSNRVPSMB-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N1CC(=O)N(CC1=O)c1ccccc1C#N
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.32g/mol
Monoisotopic Mass:
316.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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