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821784-38-7 | [3,4'-Bipyridin]-5-amine, N-(3-nitrophenyl)-
CAS No: 821784-38-7 Catalog No: AG00578X MDL No:
Product Description
Catalog Number:
AG00578X
Chemical Name:
[3,4'-Bipyridin]-5-amine, N-(3-nitrophenyl)-
CAS Number:
821784-38-7
Molecular Formula:
C16H12N4O2
Molecular Weight:
292.2921
IUPAC Name:
N-(3-nitrophenyl)-5-pyridin-4-ylpyridin-3-amine
InChI:
InChI=1S/C16H12N4O2/c21-20(22)16-3-1-2-14(9-16)19-15-8-13(10-18-11-15)12-4-6-17-7-5-12/h1-11,19H
InChI Key:
ARBUMXHUYKBGSU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)Nc1cncc(c1)c1ccncc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.298g/mol
Monoisotopic Mass:
292.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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