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127697-61-4 | 2H-Tetrazolium, 2,3-bis(3-methylphenyl)-5-phenyl-, chloride (1:1)
CAS No: 127697-61-4 Catalog No: AG000XAL MDL No:
Product Description
Catalog Number:
AG000XAL
Chemical Name:
2H-Tetrazolium, 2,3-bis(3-methylphenyl)-5-phenyl-, chloride (1:1)
CAS Number:
127697-61-4
Molecular Formula:
C21H21ClN4
Molecular Weight:
364.8712
IUPAC Name:
2,3-bis(3-methylphenyl)-5-phenyltetrazol-2-ium;chloride
InChI:
InChI=1S/C21H19N4.ClH/c1-16-8-6-12-19(14-16)24-22-21(18-10-4-3-5-11-18)23-25(24)20-13-7-9-17(2)15-20;/h3-15H,1-2H3;1H/q+1;/p-1
InChI Key:
VJAQMINLVCUDPE-UHFFFAOYSA-M
SMILES:
Cc1cccc(c1)N1[NH2+]C(=NN1c1cccc(c1)C)c1ccccc1.[Cl-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.13g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.861g/mol
Monoisotopic Mass:
362.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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