Home Other Building Blocks 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethan-1-one hydrochloride

2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethan-1-one hydrochloride

CAS No.:
1209774-76-4
Catalog Number:
AG019XMW
Molecular Formula:
C12H13ClN2O2
Molecular Weight:
252.6968
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Product Description
Catalog Number:
AG019XMW
Chemical Name:
2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethan-1-one hydrochloride
CAS Number:
1209774-76-4
Molecular Formula:
C12H13ClN2O2
Molecular Weight:
252.6968
MDL Number:
MFCD13196231
IUPAC Name:
2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanone;hydrochloride
InChI:
InChI=1S/C12H12N2O2.ClH/c1-16-10-4-2-3-9(7-10)11(15)8-12-13-5-6-14-12;/h2-7H,8H2,1H3,(H,13,14);1H
InChI Key:
SLIPEPFBKBECED-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)Cc1ncc[nH]1.Cl
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.698g/mol
Monoisotopic Mass:
252.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties