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700845-96-1 | Benzonitrile, 4-(di-2-pyridinylamino)-
CAS No: 700845-96-1 Catalog No: AG005FXO MDL No:
Product Description
Catalog Number:
AG005FXO
Chemical Name:
Benzonitrile, 4-(di-2-pyridinylamino)-
CAS Number:
700845-96-1
Molecular Formula:
C17H12N4
Molecular Weight:
272.3040
IUPAC Name:
4-(dipyridin-2-ylamino)benzonitrile
InChI:
InChI=1S/C17H12N4/c18-13-14-7-9-15(10-8-14)21(16-5-1-3-11-19-16)17-6-2-4-12-20-17/h1-12H
InChI Key:
JDPUAGCFKOSGRC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N(c1ccccn1)c1ccccn1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.311g/mol
Monoisotopic Mass:
272.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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