AG003CG4

60646-30-2 | (S)-1-(Anthracen-9-yl)-2,2,2-trifluoroethanol

AG003CG4

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CAS Number	60646-30-2
Catalog Number	AG003CG4(AGN-PC-0SX0M3)
Chemical Name	(S)-1-(Anthracen-9-yl)-2,2,2-trifluoroethanol
EC Number	262-348-1
IUPAC Name	(1S)-1-anthracen-9-yl-2,2,2-trifluoroethanol
InChI	InChI=1S/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H/t15-/m0/s1
InChI Key	ICZHJFWIOPYQCA-HNNXBMFYSA-N
MDL Number	MFCD00062968
Molecular Formula	C16H11F3O
Molecular Weight	276.2531
SMILES	O[C@H](C(F)(F)F)C1=C2C(C=CC=C2)=CC2=C1C=CC=C2
Synonyms	60646-30-2, (S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol, (S)-1-(anthracen-9-yl)-2,2,2-trifluoroethanol, (S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol, (s)-2,2,2-trifluoro-1-(9-anthryl)ethanol, (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanol, 1-(9-Anthryl)-2,2,2-trifluoroethanol #, AC1MC496, SCHEMBL3075110, CTK5B1976, ICZHJFWIOPYQCA-HNNXBMFYSA-, ICZHJFWIOPYQCA-HNNXBMFYSA-N, KS-000016PC, ZINC4283648, ANW-43212, MFCD00062968, AKOS027327456, DB-072830, TR-020920, FT-0605232, (1S)-1-(9-anthracenyl)-2,2,2-trifluoroethanol, A832825, (S)-(+)-|A-(Trifluoromethyl)anthracene-9-methanol, (S)-(+)-2?2?2-Trifluoro-1-(9-anthryl)ethanol, 9-Anthracenemethanol, a-(trifluoromethyl)-, (aS)-, (1S)-1-anthracen-9-yl-2,2,2-tris(fluoranyl)ethanol, (S)-(+)-alpha-(Trifluoromethyl)-9-anthracenemethanol, 9-Anthracenemethanol, .alpha.-(trifluoromethyl)-, (S)-, (S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol, >=98%, (S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol [e.e. Determination Reagent by NMR], (S)-(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol[e.e.DeterminationReagentbyNMR], InChI=1/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H/t15-/m0/s1, C16H11F3O, EINECS 262-348-1, C16-H11-F3-O, ZINC04283648, CID2724111, - -2,2,2-TRIFLUORO-1- ETHANOL, T1521, (S)-alpha-(Trifluoromethyl)anthracene-9-methanol,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	276.076g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.258g/mol
Monoisotopic Mass	276.076g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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