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157197-53-0 | 1,3-Di-tert-butyl-1H-imidazol-3-ium-2-ide
CAS No: 157197-53-0 Catalog No: AG003DL7 MDL No:MFCD03788921
Product Description
Catalog Number:
AG003DL7
Chemical Name:
1,3-Di-tert-butyl-1H-imidazol-3-ium-2-ide
CAS Number:
157197-53-0
Molecular Formula:
C11H20N2
Molecular Weight:
180.2899
MDL Number:
MFCD03788921
IUPAC Name:
1,3-ditert-butyl-2H-imidazol-1-ium-2-ide
InChI:
InChI=1S/C11H20N2/c1-10(2,3)12-7-8-13(9-12)11(4,5)6/h7-8H,1-6H3
InChI Key:
FENRCIKTFREPGS-UHFFFAOYSA-N
SMILES:
CC(n1cc[n+]([c-]1)C(C)(C)C)(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.163g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.295g/mol
Monoisotopic Mass:
180.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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