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131748-65-7 | Guanidine, N''-[(2-chloro-5-thiazolyl)methyl]-N,N-dimethyl-N'-nitro-
CAS No: 131748-65-7 Catalog No: AG000ZNU MDL No:
Product Description
Catalog Number:
AG000ZNU
Chemical Name:
Guanidine, N''-[(2-chloro-5-thiazolyl)methyl]-N,N-dimethyl-N'-nitro-
CAS Number:
131748-65-7
Molecular Formula:
C7H10ClN5O2S
Molecular Weight:
263.7046
IUPAC Name:
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,1-dimethyl-2-nitroguanidine
InChI:
InChI=1S/C7H10ClN5O2S/c1-12(2)7(11-13(14)15)10-4-5-3-9-6(8)16-5/h3H,4H2,1-2H3,(H,10,11)
InChI Key:
QOCXQTBNEGILPH-UHFFFAOYSA-N
SMILES:
CN(C(=NCc1cnc(s1)Cl)N[N+](=O)[O-])C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.7g/mol
Monoisotopic Mass:
263.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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