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Home > Nitro Compounds > 89205-97-0
89205-97-0 | 1H-Tetrazolium, 4,5-dihydro-2,4-bis(4-nitrophenyl)-5-oxo-, chloride
CAS No: 89205-97-0 Catalog No: AG004465 MDL No:
Product Description
Catalog Number:
AG004465
Chemical Name:
1H-Tetrazolium, 4,5-dihydro-2,4-bis(4-nitrophenyl)-5-oxo-, chloride
CAS Number:
89205-97-0
Molecular Formula:
C13H11ClN6O5
Molecular Weight:
366.7166
IUPAC Name:
1,3-bis(4-nitrophenyl)tetrazolidin-4-ium-5-one;chloride
InChI:
InChI=1S/C13H10N6O5.ClH/c20-13-14-17(10-3-7-12(8-4-10)19(23)24)15-16(13)9-1-5-11(6-2-9)18(21)22;/h1-8,15H,(H,14,20);1H
InChI Key:
ZXUVKMHRHUXXOQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1NN(C(=O)[NH2+]1)c1ccc(cc1)[N+](=O)[O-].[Cl-]
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.048g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.718g/mol
Monoisotopic Mass:
366.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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