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19858-57-2 | 3,5-Pyridinedicarbonitrile, 2-amino-6-chloro-4-(cyanomethyl)-
CAS No: 19858-57-2 Catalog No: AG002BMT MDL No:MFCD00831530
Product Description
Catalog Number:
AG002BMT
Chemical Name:
3,5-Pyridinedicarbonitrile, 2-amino-6-chloro-4-(cyanomethyl)-
CAS Number:
19858-57-2
Molecular Formula:
C9H4ClN5
Molecular Weight:
217.6146
MDL Number:
MFCD00831530
IUPAC Name:
2-amino-6-chloro-4-(cyanomethyl)pyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C9H4ClN5/c10-8-6(3-12)5(1-2-11)7(4-13)9(14)15-8/h1H2,(H2,14,15)
InChI Key:
OJWPYQNAVPIGTJ-UHFFFAOYSA-N
SMILES:
N#CCc1c(C#N)c(N)nc(c1C#N)Cl
NSC Number:
332472
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.016g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.616g/mol
Monoisotopic Mass:
217.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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