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89205-95-8 | 1H-Tetrazolium, 1,5-dimethyl-4-phenyl-, chloride
CAS No: 89205-95-8 Catalog No: AG004466 MDL No:
Product Description
Catalog Number:
AG004466
Chemical Name:
1H-Tetrazolium, 1,5-dimethyl-4-phenyl-, chloride
CAS Number:
89205-95-8
Molecular Formula:
C9H13ClN4
Molecular Weight:
212.6793
IUPAC Name:
1,5-dimethyl-4-phenyl-1,5-dihydrotetrazol-1-ium;chloride
InChI:
InChI=1S/C9H12N4.ClH/c1-8-12(2)10-11-13(8)9-6-4-3-5-7-9;/h3-8H,1-2H3;1H
InChI Key:
FTBKUHRQPRFSQL-UHFFFAOYSA-N
SMILES:
CC1[NH+](C)N=NN1c1ccccc1.[Cl-]
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.681g/mol
Monoisotopic Mass:
212.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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