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Home > Imidazoles > 647031-06-9
647031-06-9 | Ethanone, 1-[1-(methoxymethyl)-2-phenyl-1H-imidazol-4-yl]-
CAS No: 647031-06-9 Catalog No: AG00H81S MDL No:
Product Description
Catalog Number:
AG00H81S
Chemical Name:
Ethanone, 1-[1-(methoxymethyl)-2-phenyl-1H-imidazol-4-yl]-
CAS Number:
647031-06-9
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
1-[1-(methoxymethyl)-2-phenylimidazol-4-yl]ethanone
InChI:
InChI=1S/C13H14N2O2/c1-10(16)12-8-15(9-17-2)13(14-12)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChI Key:
LPUCYSISCWZPFI-UHFFFAOYSA-N
SMILES:
COCn1cc(nc1c1ccccc1)C(=O)C
Properties
Complexity:
264
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:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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