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87287-58-9 | (6E)-3H-IMIDAZO(1,2-B)(1,2,4)TRIAZOLE-5,6-DIONE 6-(PHENYLHYDRAZONE)
CAS No: 87287-58-9 Catalog No: AG004LST MDL No:
Product Description
Catalog Number:
AG004LST
Chemical Name:
(6E)-3H-IMIDAZO(1,2-B)(1,2,4)TRIAZOLE-5,6-DIONE 6-(PHENYLHYDRAZONE)
CAS Number:
87287-58-9
Molecular Formula:
C10H8N6O
Molecular Weight:
228.2101
IUPAC Name:
6-phenyldiazenyl-1H-imidazo[1,2-b][1,2,4]triazol-5-ol
InChI:
InChI=1S/C10H8N6O/c17-9-8(16-10(13-9)11-6-12-16)15-14-7-4-2-1-3-5-7/h1-6,17H,(H,11,12,13)
InChI Key:
LVVQHCFWGRBMHA-UHFFFAOYSA-N
SMILES:
O=c1nc2n(/c/1=N/Nc1ccccc1)nc[nH]2
NSC Number:
372337
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.215g/mol
Monoisotopic Mass:
228.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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