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89206-07-5

89206-07-5 | 1H-Tetrazolium, 3-(4-methylphenyl)-1,5-diphenyl-, chloride

CAS No: 89206-07-5 Catalog No: AG0045HR MDL No:

Product Description

Catalog Number:
AG0045HR
Chemical Name:
1H-Tetrazolium, 3-(4-methylphenyl)-1,5-diphenyl-, chloride
CAS Number:
89206-07-5
Molecular Formula:
C20H19ClN4
Molecular Weight:
350.8447
IUPAC Name:
3-(4-methylphenyl)-1,5-diphenyl-1,2-dihydrotetrazol-1-ium;chloride
InChI:
InChI=1S/C20H18N4.ClH/c1-16-12-14-19(15-13-16)24-21-20(17-8-4-2-5-9-17)23(22-24)18-10-6-3-7-11-18;/h2-15,22H,1H3;1H
InChI Key:
VBOXYQFUZKAVFF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1N=C([NH+](N1)c1ccccc1)c1ccccc1.[Cl-]

Properties

Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.13g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
350.85g/mol
Monoisotopic Mass:
350.13g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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