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72024-83-0 | 1,2,4,5-Tetrazinium, 5,6-dihydro-1,3,5-triphenyl-, iodide
CAS No: 72024-83-0 Catalog No: AG005ZY0 MDL No:
Product Description
Catalog Number:
AG005ZY0
Chemical Name:
1,2,4,5-Tetrazinium, 5,6-dihydro-1,3,5-triphenyl-, iodide
CAS Number:
72024-83-0
Molecular Formula:
C20H17IN4
Molecular Weight:
440.2803
IUPAC Name:
2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium;iodide
InChI:
InChI=1S/C20H17N4.HI/c1-4-10-17(11-5-1)20-21-23(18-12-6-2-7-13-18)16-24(22-20)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1
InChI Key:
MRRUVZJUVWSDQC-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)N1N=C(N=[N+](C1)c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.05g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.288g/mol
Monoisotopic Mass:
440.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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