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Home > Fluorides > 122023-29-4
122023-29-4 | Ethanone, 1-[2-fluoro-4-(trifluoromethyl)phenyl]-
CAS No: 122023-29-4 Catalog No: AG0016N8 MDL No:MFCD00061247
Product Description
Catalog Number:
AG0016N8
Chemical Name:
Ethanone, 1-[2-fluoro-4-(trifluoromethyl)phenyl]-
CAS Number:
122023-29-4
Molecular Formula:
C9H6F4O
Molecular Weight:
206.1370
MDL Number:
MFCD00061247
IUPAC Name:
1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H6F4O/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-4H,1H3
InChI Key:
OLDXVWXLMGJVPH-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1F)C(F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.14g/mol
Monoisotopic Mass:
206.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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