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100628-08-8 | 2H-Tetrazolium, 2-(4-methoxyphenyl)-3,5-diphenyl-, chloride (1:1)
CAS No: 100628-08-8 Catalog No: AG0002IP MDL No:
Product Description
Catalog Number:
AG0002IP
Chemical Name:
2H-Tetrazolium, 2-(4-methoxyphenyl)-3,5-diphenyl-, chloride (1:1)
CAS Number:
100628-08-8
Molecular Formula:
C20H19ClN4O
Molecular Weight:
366.8441
IUPAC Name:
2-(4-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium;chloride
InChI:
InChI=1S/C20H18N4O.ClH/c1-25-19-14-12-18(13-15-19)24-22-20(16-8-4-2-5-9-16)21-23(24)17-10-6-3-7-11-17;/h2-15H,1H3,(H,21,22);1H
InChI Key:
LZKDSAWLUOPHRU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1[NH2+]C(=NN1c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.125g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.849g/mol
Monoisotopic Mass:
366.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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