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Home > Fluorides > 680610-53-1
680610-53-1 | Methanone, [2-fluoro-3-(trifluoromethyl)phenyl](4-methoxyphenyl)-
CAS No: 680610-53-1 Catalog No: AG006G94 MDL No:
Product Description
Catalog Number:
AG006G94
Chemical Name:
Methanone, [2-fluoro-3-(trifluoromethyl)phenyl](4-methoxyphenyl)-
CAS Number:
680610-53-1
Molecular Formula:
C15H10F4O2
Molecular Weight:
298.2323
IUPAC Name:
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C15H10F4O2/c1-21-10-7-5-9(6-8-10)14(20)11-3-2-4-12(13(11)16)15(17,18)19/h2-8H,1H3
InChI Key:
WHTALSHSIWKVCP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1cccc(c1F)C(F)(F)F
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.237g/mol
Monoisotopic Mass:
298.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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