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89205-96-9 | 1H-Tetrazolium, 1-(3,4-dimethylphenyl)-4,5-dimethyl-, chloride
CAS No: 89205-96-9 Catalog No: AG00464R MDL No:
Product Description
Catalog Number:
AG00464R
Chemical Name:
1H-Tetrazolium, 1-(3,4-dimethylphenyl)-4,5-dimethyl-, chloride
CAS Number:
89205-96-9
Molecular Formula:
C11H17ClN4
Molecular Weight:
240.7325
IUPAC Name:
1-(3,4-dimethylphenyl)-4,5-dimethyl-1,5-dihydrotetrazol-1-ium;chloride
InChI:
InChI=1S/C11H16N4.ClH/c1-8-5-6-11(7-9(8)2)15-10(3)14(4)12-13-15;/h5-7,10H,1-4H3;1H
InChI Key:
OQBGNOXSSOUHEW-UHFFFAOYSA-N
SMILES:
CN1N=N[NH+](C1C)c1ccc(c(c1)C)C.[Cl-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.735g/mol
Monoisotopic Mass:
240.114g/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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