AG004H28

875444-08-9 | (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

AG004H28

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CAS Number	875444-08-9
Catalog Number	AG004H28(AGN-PC-0OL3SC)
Chemical Name	(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
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
MDL Number	MFCD16294904
Molecular Formula	C12H9F6NO2
Molecular Weight	313.1958
SMILES	O=C1O[C@H](C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)[C@H](C)N1
Synonyms	875444-08-9, (4S,5R)-5-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-4-METHYL-1,3-OXAZOLIDIN-2-ONE, (4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-4-methyloxazolidin-2-one, 2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-, (4S,5R)-, (4S,5R)-5-(3,5-Bis-trifluoromethyl-phenyl)-4-methyl-oxazolidin-2-one, C12H9F6NO2, (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyloxazolidin-2-one, AK145429, SCHEMBL531344, CTK3C3257, DTXSID00635058, OHIDCVTXTYVGRO-CDUCUWFYSA-N, CS-M3089, MFCD16294904, ZINC72194096, AKOS015949549, BCP9000112, DS-8103, PB16638, RP07626, KS-000004S7, AC-27374, SC-66866, BCP0726000179, AJ-119496, AX8162716, DB-038201, FT-0684905, ST24034767, X5911, C-8413, J-501485, (4S,5R)-5-[3,5-bis(trifluoroMethyl)phenyl]-4-Methy, (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-oxazolidin-2-one, (4S,5R);-5-(3,5-Bis(trifluoromethyl);phenyl);-4-methyloxazolidin-2-one, (4S,5R)-5-[3,5-bis(trifluoromethyl) phenyl]-4-methyl-1,3-oxazolidin-2-one, ACN-045543, (4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one, 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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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