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139613-40-4 | Hydrazinecarboximidamide, 2-[(2-bromo-4,5-dimethoxyphenyl)methylene]-N-hydroxy-, 4-methylbenzenesulfonate (1:1)
CAS No: 139613-40-4 Catalog No: AG001BDJ MDL No:
Product Description
Catalog Number:
AG001BDJ
Chemical Name:
Hydrazinecarboximidamide, 2-[(2-bromo-4,5-dimethoxyphenyl)methylene]-N-hydroxy-, 4-methylbenzenesulfonate (1:1)
CAS Number:
139613-40-4
Molecular Formula:
C17H21BrN4O6S
Molecular Weight:
489.3408
IUPAC Name:
2-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C10H13BrN4O3.C7H8O3S/c1-17-8-3-6(5-13-14-10(12)15-16)7(11)4-9(8)18-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,16H,1-2H3,(H3,12,14,15);2-5H,1H3,(H,8,9,10)
InChI Key:
YJXCQHUVUSAOOJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.ONC(=N)NN=Cc1cc(OC)c(cc1Br)OC
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.037g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
489.341g/mol
Monoisotopic Mass:
488.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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