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85100-78-3 | 1-Hexyl-3-methylimidazolium Bromide
CAS No: 85100-78-3 Catalog No: AG003B1V MDL No:MFCD03427612
Product Description
Catalog Number:
AG003B1V
Chemical Name:
1-Hexyl-3-methylimidazolium Bromide
CAS Number:
85100-78-3
Molecular Formula:
C10H19BrN2
Molecular Weight:
247.1753
MDL Number:
MFCD03427612
IUPAC Name:
1-hexyl-3-methylimidazol-3-ium;bromide
InChI:
InChI=1S/C10H19N2.BrH/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1
InChI Key:
BGSUDDILQRFOKZ-UHFFFAOYSA-M
SMILES:
CCCCCCn1cc[n+](c1)C.[Br-]
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.18g/mol
Monoisotopic Mass:
246.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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