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Home > Imidazoles > 748795-22-4
748795-22-4 | 1H-Imidazolium, 1-[(4-ethenylphenyl)methyl]-3-methyl-, chloride
CAS No: 748795-22-4 Catalog No: AG0058C0 MDL No:
Product Description
Catalog Number:
AG0058C0
Chemical Name:
1H-Imidazolium, 1-[(4-ethenylphenyl)methyl]-3-methyl-, chloride
CAS Number:
748795-22-4
Molecular Formula:
C13H17ClN2
Molecular Weight:
236.7405
IUPAC Name:
1-[(4-ethenylphenyl)methyl]-3-methyl-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C13H16N2.ClH/c1-3-12-4-6-13(7-5-12)10-15-9-8-14(2)11-15;/h3-9H,1,10-11H2,2H3;1H
InChI Key:
KBRGFKHUFKDZIU-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)C[NH+]1C=CN(C1)C.[Cl-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.743g/mol
Monoisotopic Mass:
236.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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