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1393574-42-9 | 2-Pyridinecarbonitrile, 6-(aminomethyl)-4-chloro-
CAS No: 1393574-42-9 Catalog No: AG001AU5 MDL No:
Product Description
Catalog Number:
AG001AU5
Chemical Name:
2-Pyridinecarbonitrile, 6-(aminomethyl)-4-chloro-
CAS Number:
1393574-42-9
Molecular Formula:
C7H6ClN3
Molecular Weight:
167.5956
IUPAC Name:
6-(aminomethyl)-4-chloropyridine-2-carbonitrile
InChI:
InChI=1S/C7H6ClN3/c8-5-1-6(3-9)11-7(2-5)4-10/h1-2H,3,9H2
InChI Key:
IGFVSWFKUBESLH-UHFFFAOYSA-N
SMILES:
NCc1cc(Cl)cc(n1)C#N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.596g/mol
Monoisotopic Mass:
167.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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