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61545-99-1 | 1-Methyl-3-octyl-1H-imidazol-3-ium bromide
CAS No: 61545-99-1 Catalog No: AG003EHP MDL No:MFCD10566918
Product Description
Catalog Number:
AG003EHP
Chemical Name:
1-Methyl-3-octyl-1H-imidazol-3-ium bromide
CAS Number:
61545-99-1
Molecular Formula:
C12H23BrN2
Molecular Weight:
275.2284
MDL Number:
MFCD10566918
IUPAC Name:
1-methyl-3-octylimidazol-1-ium;bromide
InChI:
InChI=1S/C12H23N2.BrH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1
InChI Key:
URVSXZLUUCVGQM-UHFFFAOYSA-M
SMILES:
CCCCCCCC[n+]1ccn(c1)C.[Br-]
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.234g/mol
Monoisotopic Mass:
274.104g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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