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129478-36-0 | Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N''-methyl-
CAS No: 129478-36-0 Catalog No: AG000Z6P MDL No:
Product Description
Catalog Number:
AG000Z6P
Chemical Name:
Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N''-methyl-
CAS Number:
129478-36-0
Molecular Formula:
C9H10ClN5
Molecular Weight:
223.6622
IUPAC Name:
1-[(6-chloropyridin-3-yl)methyl]-3-cyano-2-methylguanidine
InChI:
InChI=1S/C9H10ClN5/c1-12-9(15-6-11)14-5-7-2-3-8(10)13-4-7/h2-4H,5H2,1H3,(H2,12,14,15)
InChI Key:
XYQYUFGOEDNZIY-UHFFFAOYSA-N
SMILES:
N#CNC(=NC)NCc1ccc(nc1)Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.664g/mol
Monoisotopic Mass:
223.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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