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113952-06-0 | 2H-Tetrazolium, 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]-, chloride (1:1)
CAS No: 113952-06-0 Catalog No: AG000A56 MDL No:
Product Description
Catalog Number:
AG000A56
Chemical Name:
2H-Tetrazolium, 2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]-, chloride (1:1)
CAS Number:
113952-06-0
Molecular Formula:
C20H16ClF3N4
Molecular Weight:
404.8160
IUPAC Name:
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]-1H-tetrazol-1-ium;chloride
InChI:
InChI=1S/C20H15F3N4.ClH/c21-20(22,23)16-13-11-15(12-14-16)19-24-26(17-7-3-1-4-8-17)27(25-19)18-9-5-2-6-10-18;/h1-14H,(H,24,25);1H
InChI Key:
WZCCKMBWSNFROQ-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C1=NN(N([NH2+]1)c1ccccc1)c1ccccc1)(F)F.[Cl-]
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.102g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.821g/mol
Monoisotopic Mass:
404.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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