AG006NQ7

99493-93-3 | (S)-1-(4-(Trifluoromethyl)phenyl)ethanol

AG006NQ7

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CAS Number	99493-93-3
Catalog Number	AG006NQ7(AGN-PC-0W9FID)
Chemical Name	(S)-1-(4-(Trifluoromethyl)phenyl)ethanol
IUPAC Name	(1S)-1-[4-(trifluoromethyl)phenyl]ethanol
InChI	InChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3/t6-/m0/s1
InChI Key	YMXIDIAEXNLCFT-LURJTMIESA-N
MDL Number	MFCD03093008
Molecular Formula	C9H9F3O
Molecular Weight	190.1624
SMILES	C(F)(F)(F)c1ccc(cc1)[C@H](C)O
Synonyms	99493-93-3, (S)-1-(4-(Trifluoromethyl)phenyl)ethanol, (1S)-1-[4-(Trifluoromethyl)phenyl]ethan-1-ol, (1S)-1-[4-(trifluoromethyl)phenyl]ethanol, (S)-1-[4-(Trifluoromethyl)phenyl]ethanol, AC1OE04Y, SCHEMBL5451341, CTK8F1612, KS-00000ROR, ZINC2598073, MFCD03093007, AKOS017343729, DS-5598, MCULE-8725739336, NE24156, AJ-43771, CJ-10440, DB-013538, FT-0605301, ST24035723, (S)-1-(4-(trifluoromethyl)phenyl)ethan-1-ol, A811560, I01-9610, Z1507564175, ZINC02579184, CID7023586, (R)-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL, Benzenemethanol, a-methyl-4-(trifluoromethyl)-, (aS)-, 1737-26-4, 76155-79-8,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	190.061g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.165g/mol
Monoisotopic Mass	190.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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