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139613-38-0 | Hydrazinecarboximidamide, 2-[(4,5-dimethoxy-2-nitrophenyl)methylene]-N-hydroxy-, 4-methylbenzenesulfonate (1:1)
CAS No: 139613-38-0 Catalog No: AG001BDK MDL No:
Product Description
Catalog Number:
AG001BDK
Chemical Name:
Hydrazinecarboximidamide, 2-[(4,5-dimethoxy-2-nitrophenyl)methylene]-N-hydroxy-, 4-methylbenzenesulfonate (1:1)
CAS Number:
139613-38-0
Molecular Formula:
C17H21N5O8S
Molecular Weight:
455.4423
IUPAC Name:
2-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine
InChI:
InChI=1S/C10H13N5O5/c1-19-8-3-6(5-12-13-10(11)14-16)7(15(17)18)4-9(8)20-2/h3-5,16H,1-2H3,(H3,11,13,14)
InChI Key:
IGMXRLVBSFUXRH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.ONC(=N)NN=Cc1cc(OC)c(cc1[N+](=O)[O-])OC
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
283.244g/mol
Monoisotopic Mass:
283.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.2
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