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Home > Imidazoles > 201290-43-9
201290-43-9 | 1-(4-acetylphenyl)-3-methyl-1H-imidazol-3-ium iodide
CAS No: 201290-43-9 Catalog No: AG00ITW1 MDL No:MFCD00138186
Product Description
Catalog Number:
AG00ITW1
Chemical Name:
1-(4-acetylphenyl)-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
201290-43-9
Molecular Formula:
C12H13IN2O
Molecular Weight:
328.1489
MDL Number:
MFCD00138186
IUPAC Name:
1-[4-(3-methylimidazol-3-ium-1-yl)phenyl]ethanone;iodide
InChI:
InChI=1S/C12H13N2O.HI/c1-10(15)11-3-5-12(6-4-11)14-8-7-13(2)9-14;/h3-9H,1-2H3;1H/q+1;/p-1
InChI Key:
CHYPYVGDMNENSS-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)c1ccc(cc1)C(=O)C.[I-]
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.153g/mol
Monoisotopic Mass:
328.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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