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131748-54-4 | Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N''-methyl-N'-nitro-
CAS No: 131748-54-4 Catalog No: AG000ZNW MDL No:
Product Description
Catalog Number:
AG000ZNW
Chemical Name:
Guanidine, N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N''-methyl-N'-nitro-
CAS Number:
131748-54-4
Molecular Formula:
C10H14ClN5O2
Molecular Weight:
271.7035
IUPAC Name:
1-[(6-chloropyridin-3-yl)methyl]-1-ethyl-3-methyl-2-nitroguanidine
InChI:
InChI=1S/C10H14ClN5O2/c1-3-15(10(12-2)14-16(17)18)7-8-4-5-9(11)13-6-8/h4-6H,3,7H2,1-2H3,(H,12,14)
InChI Key:
RYEGSLJSIIVQCX-UHFFFAOYSA-N
SMILES:
CCN(C(=NC)N[N+](=O)[O-])Cc1ccc(nc1)Cl
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.705g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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