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Home > Fluorides > 136828-09-6
136828-09-6 | 5-Oxazolidinone, 4-(2-oxo-2-phenylethyl)-2,2-bis(trifluoromethyl)-, (4S)-
CAS No: 136828-09-6 Catalog No: AG0012EM MDL No:
Product Description
Catalog Number:
AG0012EM
Chemical Name:
5-Oxazolidinone, 4-(2-oxo-2-phenylethyl)-2,2-bis(trifluoromethyl)-, (4S)-
CAS Number:
136828-09-6
Molecular Formula:
C13H9F6NO3
Molecular Weight:
341.2059
IUPAC Name:
(4S)-4-phenacyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
InChI:
InChI=1S/C13H9F6NO3/c14-12(15,16)11(13(17,18)19)20-8(10(22)23-11)6-9(21)7-4-2-1-3-5-7/h1-5,8,20H,6H2/t8-/m0/s1
InChI Key:
SAWPGUMAFFSNTM-QMMMGPOBSA-N
SMILES:
O=C(c1ccccc1)C[C@@H]1NC(OC1=O)(C(F)(F)F)C(F)(F)F
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
341.049g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.209g/mol
Monoisotopic Mass:
341.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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