| CAS Number | 875444-05-6 |
| Catalog Number | AG00IL2F(AGN-PC-0OL3S3) |
| Chemical Name | 2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-, (4R,5R)- |
| IUPAC Name | (4R,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one |
| InChI | InChI=1S/C12H9F6NO2/c1-5-9(21-10(20)19-5)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-5,9H,1H3,(H,19,20)/t5-,9+/m1/s1 |
| InChI Key | OHIDCVTXTYVGRO-ANLVUFKYSA-N |
| MDL Number | MFCD30802501 |
| Molecular Formula | C12H9F6NO2 |
| Molecular Weight | 313.1958 |
| SMILES | C[C@H]1NC(=O)O[C@@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| Synonyms | (4r,5r)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one,
875444-05-6,
SCHEMBL531606,
MFCD30802501,
ZINC98090135,
SB18041,
AS-54233,
CS-0053180,
2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-, (4R,5S)-,
875444-10-3,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.199g/mol |
| Monoisotopic Mass | 313.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number