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Home > Fluorides > 898774-96-4
898774-96-4 | 3-(3-Methoxyphenyl)-2'-trifluoromethylpropiophenone
CAS No: 898774-96-4 Catalog No: AG01EYWC MDL No:
Product Description
Catalog Number:
AG01EYWC
Chemical Name:
3-(3-Methoxyphenyl)-2'-trifluoromethylpropiophenone
CAS Number:
898774-96-4
Molecular Formula:
C17H15F3O2
Molecular Weight:
308.2950
IUPAC Name:
3-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
InChI:
InChI=1S/C17H15F3O2/c1-22-13-6-4-5-12(11-13)9-10-16(21)14-7-2-3-8-15(14)17(18,19)20/h2-8,11H,9-10H2,1H3
InChI Key:
ZXPKTJGHJXNKHE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CCC(=O)c1ccccc1C(F)(F)F
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.3g/mol
Monoisotopic Mass:
308.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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