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131748-47-5 | Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-N''-nitro-
CAS No: 131748-47-5 Catalog No: AG000ZNY MDL No:
Product Description
Catalog Number:
AG000ZNY
Chemical Name:
Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-N''-nitro-
CAS Number:
131748-47-5
Molecular Formula:
C8H10ClN5O2
Molecular Weight:
243.6503
IUPAC Name:
1-[(6-chloropyridin-3-yl)methyl]-3-methyl-2-nitroguanidine
InChI:
InChI=1S/C8H10ClN5O2/c1-10-8(13-14(15)16)12-5-6-2-3-7(9)11-4-6/h2-4H,5H2,1H3,(H2,10,12,13)
InChI Key:
SWHRDLPFZQFSLS-UHFFFAOYSA-N
SMILES:
CNC(=N[N+](=O)[O-])NCc1ccc(nc1)Cl
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.651g/mol
Monoisotopic Mass:
243.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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