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157197-54-1 | 1,3-di-tert-Butyl-1H-imidazol-3-ium chloride
CAS No: 157197-54-1 Catalog No: AG007GIU MDL No:MFCD03840576
Product Description
Catalog Number:
AG007GIU
Chemical Name:
1,3-di-tert-Butyl-1H-imidazol-3-ium chloride
CAS Number:
157197-54-1
Molecular Formula:
C11H21ClN2
Molecular Weight:
216.7508
MDL Number:
MFCD03840576
IUPAC Name:
1,3-ditert-butylimidazol-1-ium;chloride
InChI:
InChI=1S/C11H21N2.ClH/c1-10(2,3)12-7-8-13(9-12)11(4,5)6;/h7-9H,1-6H3;1H/q+1;/p-1
InChI Key:
GJECSWIRMFBYOI-UHFFFAOYSA-M
SMILES:
CC(n1cc[n+](c1)C(C)(C)C)(C)C.[Cl-]
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.139g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.753g/mol
Monoisotopic Mass:
216.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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