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Home > Fluorides > 116330-64-4
116330-64-4 | 1-Butanone, 4,4,4-trifluoro-3-hydroxy-1-phenyl-, (3S)-
CAS No: 116330-64-4 Catalog No: AG000C7B MDL No:
Product Description
Catalog Number:
AG000C7B
Chemical Name:
1-Butanone, 4,4,4-trifluoro-3-hydroxy-1-phenyl-, (3S)-
CAS Number:
116330-64-4
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
IUPAC Name:
(3S)-4,4,4-trifluoro-3-hydroxy-1-phenylbutan-1-one
InChI:
InChI=1S/C10H9F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5,9,15H,6H2/t9-/m0/s1
InChI Key:
LGRAOIBBJUNFDG-VIFPVBQESA-N
SMILES:
O[C@H](C(F)(F)F)CC(=O)c1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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