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1246350-47-9 | Benzonitrile, 4-(5-amino-3-pyridinyl)-
CAS No: 1246350-47-9 Catalog No: AG000MHQ MDL No:
Product Description
Catalog Number:
AG000MHQ
Chemical Name:
Benzonitrile, 4-(5-amino-3-pyridinyl)-
CAS Number:
1246350-47-9
Molecular Formula:
C12H9N3
Molecular Weight:
195.2200
IUPAC Name:
4-(5-aminopyridin-3-yl)benzonitrile
InChI:
InChI=1S/C12H9N3/c13-6-9-1-3-10(4-2-9)11-5-12(14)8-15-7-11/h1-5,7-8H,14H2
InChI Key:
XIAHDAHNVKDUHO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cncc(c1)N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.225g/mol
Monoisotopic Mass:
195.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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