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1314974-91-8 | 2-Pyridinecarbonitrile, 6-amino-5-bromo-
CAS No: 1314974-91-8 Catalog No: AG000WB2 MDL No:
Product Description
Catalog Number:
AG000WB2
Chemical Name:
2-Pyridinecarbonitrile, 6-amino-5-bromo-
CAS Number:
1314974-91-8
Molecular Formula:
C6H4BrN3
Molecular Weight:
198.0201
IUPAC Name:
6-amino-5-bromopyridine-2-carbonitrile
InChI:
InChI=1S/C6H4BrN3/c7-5-2-1-4(3-8)10-6(5)9/h1-2H,(H2,9,10)
InChI Key:
GXAKQAILALAUHT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(n1)N)Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.959g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.023g/mol
Monoisotopic Mass:
196.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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