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220956-35-4 | 1-Butyl-3-methyl-1H-imidazol-3-ium perchlorate
CAS No: 220956-35-4 Catalog No: AG0070C0 MDL No:MFCD23701487
Product Description
Catalog Number:
AG0070C0
Chemical Name:
1-Butyl-3-methyl-1H-imidazol-3-ium perchlorate
CAS Number:
220956-35-4
Molecular Formula:
C8H15ClN2O4
Molecular Weight:
238.6687
MDL Number:
MFCD23701487
IUPAC Name:
1-butyl-3-methylimidazol-3-ium;perchlorate
InChI:
InChI=1S/C8H15N2.ClHO4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
OPGGSNAFGYWGCT-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCCCn1cc[n+](c1)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.668g/mol
Monoisotopic Mass:
238.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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