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131748-59-9 | Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-
CAS No: 131748-59-9 Catalog No: AG000ZNV MDL No:
Product Description
Catalog Number:
AG000ZNV
Chemical Name:
Guanidine, N-[(2-chloro-5-thiazolyl)methyl]-N'-methyl-N''-nitro-
CAS Number:
131748-59-9
Molecular Formula:
C6H8ClN5O2S
Molecular Weight:
249.6780
IUPAC Name:
2-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methyl-1-nitroguanidine
InChI:
InChI=1S/C6H8ClN5O2S/c1-11(12(13)14)6(8)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10)
InChI Key:
MHLUDIQXOUITIL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N=C(NC)NCc1cnc(s1)Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.009g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.673g/mol
Monoisotopic Mass:
249.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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