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Home > Imidazoles > 52855-77-3
52855-77-3 | 2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethan-1-one hydrochloride
CAS No: 52855-77-3 Catalog No: AG01AALJ MDL No:MFCD17167230
Product Description
Catalog Number:
AG01AALJ
Chemical Name:
2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethan-1-one hydrochloride
CAS Number:
52855-77-3
Molecular Formula:
C12H13ClN2O
Molecular Weight:
236.6974
MDL Number:
MFCD17167230
IUPAC Name:
2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethanone;hydrochloride
InChI:
InChI=1S/C12H12N2O.ClH/c1-9-2-4-10(5-3-9)11(15)8-12-13-6-7-14-12;/h2-7H,8H2,1H3,(H,13,14);1H
InChI Key:
JDRVXDHSRFAUCC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Cc1ncc[nH]1.Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.699g/mol
Monoisotopic Mass:
236.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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