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Home > Imidazoles > 78892-45-2
78892-45-2 | 4-[(2,6-dimethylphenyl)methyl]-1H-imidazole hydrochloride
CAS No: 78892-45-2 Catalog No: AG01DWO6 MDL No:
Product Description
Catalog Number:
AG01DWO6
Chemical Name:
4-[(2,6-dimethylphenyl)methyl]-1H-imidazole hydrochloride
CAS Number:
78892-45-2
Molecular Formula:
C12H15ClN2
Molecular Weight:
222.7139
IUPAC Name:
5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;hydrochloride
InChI:
InChI=1S/C12H14N2.ClH/c1-9-4-3-5-10(2)12(9)6-11-7-13-8-14-11;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H
InChI Key:
HRPJDEUIMHHMEL-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1Cc1c[nH]cn1)C.Cl
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.716g/mol
Monoisotopic Mass:
222.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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