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122644-98-8 | 2H-Tetrazolium, 2,3-dimethyl-5-phenyl-, chloride (1:1)
CAS No: 122644-98-8 Catalog No: AG0017L3 MDL No:
Product Description
Catalog Number:
AG0017L3
Chemical Name:
2H-Tetrazolium, 2,3-dimethyl-5-phenyl-, chloride (1:1)
CAS Number:
122644-98-8
Molecular Formula:
C9H13ClN4
Molecular Weight:
212.6793
IUPAC Name:
2,3-dimethyl-5-phenyl-1H-tetrazol-1-ium;chloride
InChI:
InChI=1S/C9H12N4.ClH/c1-12-10-9(11-13(12)2)8-6-4-3-5-7-8;/h3-7H,1-2H3,(H,10,11);1H
InChI Key:
ASBVLYJBVMRWNZ-UHFFFAOYSA-N
SMILES:
CN1[NH2+]C(=NN1C)c1ccccc1.[Cl-]
Properties
Complexity:
208
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:
35.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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