(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyloxazolidin-2-one - CAS 875444-08-9
Catalog: |
BB038516 |
Product Name: |
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyloxazolidin-2-one |
CAS: |
875444-08-9 |
Synonyms: |
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxazolidinone; (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one |
IUPAC Name: | (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one |
Description: | (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyloxazolidin-2-one (CAS# 875444-08-9) is a useful research chemical. |
Molecular Weight: | 313.20 |
Molecular Formula: | C12H9F6NO2 |
Canonical SMILES: | CC1C(OC(=O)N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
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-/m0/s1 |
InChI Key: | OHIDCVTXTYVGRO-CDUCUWFYSA-N |
LogP: | 4.22240 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110257033-B | Water-based cleaning solution and preparation method and application thereof | 20190604 |
EP-3402777-A1 | Oxazolidinones as taro inhibitors | 20151216 |
WO-2017106138-A1 | Oxazolidinones as taro inhibitors | 20151216 |
US-2020261436-A1 | Oxazolidinones as taro inhibitors | 20151216 |
US-11141410-B2 | Oxazolidinones as taro inhibitors | 20151216 |
Complexity: | 386 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.05374750 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.05374750 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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