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131748-48-6 | Guanidine, N'-[(6-chloro-3-pyridinyl)methyl]-N,N-dimethyl-N''-nitro- (9CI)
CAS No: 131748-48-6 Catalog No: AG000ZNX MDL No:
Product Description
Catalog Number:
AG000ZNX
Chemical Name:
Guanidine, N'-[(6-chloro-3-pyridinyl)methyl]-N,N-dimethyl-N''-nitro- (9CI)
CAS Number:
131748-48-6
Molecular Formula:
C9H12ClN5O2
Molecular Weight:
257.6769
IUPAC Name:
3-[(6-chloropyridin-3-yl)methyl]-1,1-dimethyl-2-nitroguanidine
InChI:
InChI=1S/C9H12ClN5O2/c1-14(2)9(13-15(16)17)12-6-7-3-4-8(10)11-5-7/h3-5H,6H2,1-2H3,(H,12,13)
InChI Key:
NRKRPOHWHYCORO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N=C(N(C)C)NCc1ccc(nc1)Cl
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.678g/mol
Monoisotopic Mass:
257.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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