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Home > Imidazoles > 89367-35-1
89367-35-1 | 1H-Imidazolium, 1-acetyl-4,5-dihydro-3-methyl-2-phenyl-, perchlorate
CAS No: 89367-35-1 Catalog No: AG0086C7 MDL No:
Product Description
Catalog Number:
AG0086C7
Chemical Name:
1H-Imidazolium, 1-acetyl-4,5-dihydro-3-methyl-2-phenyl-, perchlorate
CAS Number:
89367-35-1
Molecular Formula:
C12H17ClN2O5
Molecular Weight:
304.7268
IUPAC Name:
1-(3-methyl-2-phenylimidazolidin-1-ium-1-yl)ethanone;perchlorate
InChI:
InChI=1S/C12H16N2O.ClHO4/c1-10(15)14-9-8-13(2)12(14)11-6-4-3-5-7-11;2-1(3,4)5/h3-7,12H,8-9H2,1-2H3;(H,2,3,4,5)
InChI Key:
VBKNMISDYVIDPV-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CN1CC[NH+](C1c1ccccc1)C(=O)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.727g/mol
Monoisotopic Mass:
304.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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