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394-52-5 | 1-Propanone, 2,2,3,3,3-pentafluoro-1-phenyl-
CAS No: 394-52-5 Catalog No: AG00I7RA MDL No:MFCD00018062
Product Description
Catalog Number:
AG00I7RA
Chemical Name:
1-Propanone, 2,2,3,3,3-pentafluoro-1-phenyl-
CAS Number:
394-52-5
Molecular Formula:
C9H5F5O
Molecular Weight:
224.1274
MDL Number:
MFCD00018062
IUPAC Name:
2,2,3,3,3-pentafluoro-1-phenylpropan-1-one
InChI:
InChI=1S/C9H5F5O/c10-8(11,9(12,13)14)7(15)6-4-2-1-3-5-6/h1-5H
InChI Key:
VUBUXALTYMBEQO-UHFFFAOYSA-N
SMILES:
O=C(C(C(F)(F)F)(F)F)c1ccccc1
NSC Number:
42761
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.13g/mol
Monoisotopic Mass:
224.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis of trifluoromethyl cyclohexyl, cyclohexenyl and aryl compounds via stepwise Robinson annulation. | Organic & biomolecular chemistry 20110121 |
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