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89206-03-1 | 1H-Tetrazolium, 5-cyano-1,3-diphenyl-, bromide
CAS No: 89206-03-1 Catalog No: AG004464 MDL No:
Product Description
Catalog Number:
AG004464
Chemical Name:
1H-Tetrazolium, 5-cyano-1,3-diphenyl-, bromide
CAS Number:
89206-03-1
Molecular Formula:
C14H12BrN5
Molecular Weight:
330.1826
IUPAC Name:
1,3-diphenyl-1,2-dihydrotetrazol-1-ium-5-carbonitrile;bromide
InChI:
InChI=1S/C14H11N5.BrH/c15-11-14-16-19(13-9-5-2-6-10-13)17-18(14)12-7-3-1-4-8-12;/h1-10,17H;1H
InChI Key:
RNAILRMPLLUNEB-UHFFFAOYSA-N
SMILES:
N#CC1=NN(N[NH+]1c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.189g/mol
Monoisotopic Mass:
329.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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