Synonyms
1,3-Di-tert-butylbenzimidazolium chloride;946607-10-9;1,3-Di-tert-butylbenzimidazolium chloride, 96%;SCHEMBL17558043;CTK8F2990;DTXSID90584844;OR450040;1,3-Di-tert-butyl-1H-benzimidazol-3-ium chloride;
IUPAC Name
1,3-ditert-butylbenzimidazol-3-ium;chloride;
Molecular Weight
266.813g/mol
Molecular Formula
C15H23ClN2;
Canonical SMILES
CC(C)(C)N1C=[N+](C2=CC=CC=C21)C(C)(C)C.[Cl-];
InChI
InChI=1S/C15H23N2.ClH/c1-14(2,3)16-11-17(15(4,5)6)13-10-8-7-9-12(13)16;/h7-11H,1-6H3;1H/q+1;/p-1;
InChI Key
CMQDFXSMZLANNA-UHFFFAOYSA-M;
Complexity
244
Covalently-Bonded Unit Count
2
Exact Mass
266.155g/mol
H-Bond Acceptor
1
Heavy Atom Count
18
Monoisotopic Mass
266.155g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
8.8A^2
