![2-Mesityl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-4-ium chloride](https://resource.alfa-chemistry.com/structure/862893-81-0.gif)
Synonyms
Bode Catalyst 3;862893-81-0;2-Mesityl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-4-ium chloride;SCHEMBL1079568;CTK8F4381;DTXSID10474970;MFCD09787523;2-(2,4,6-Trimethyl-phenyl)-2,5,6,7-tetrahydro-pyrrolo[2,1-c][1,2,4]triazol-4-yliumchloride;
IUPAC Name
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;chloride;
Molecular Weight
263.769g/mol
Molecular Formula
C14H18ClN3;
Canonical SMILES
CC1=CC(=C(C(=C1)C)N2C=[N+]3CCCC3=N2)C.[Cl-];
InChI
InChI=1S/C14H18N3.ClH/c1-10-7-11(2)14(12(3)8-10)17-9-16-6-4-5-13(16)15-17;/h7-9H,4-6H2,1-3H3;1H/q+1;/p-1;
InChI Key
KKBONGWVMVUYPA-UHFFFAOYSA-M;
Complexity
269
Covalently-Bonded Unit Count
2
Exact Mass
263.119g/mol
H-Bond Acceptor
2
Heavy Atom Count
18
Monoisotopic Mass
263.119g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
21.7A^2
