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Home > Imidazoles > 1244949-16-3
1244949-16-3 | Ethanone, 1-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-
CAS No: 1244949-16-3 Catalog No: AG000M3K MDL No:
Product Description
Catalog Number:
AG000M3K
Chemical Name:
Ethanone, 1-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-
CAS Number:
1244949-16-3
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethanone
InChI:
InChI=1S/C13H14N2O2/c1-9-7-15(8-14-9)12-5-4-11(10(2)16)6-13(12)17-3/h4-8H,1-3H3
InChI Key:
GOKZBCFLLHNXSX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1n1cnc(c1)C)C(=O)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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