AG0037IM

225920-05-8 | (S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanol

AG0037IM

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CAS Number	225920-05-8
Catalog Number	AG0037IM(AGN-PC-0QZ8I5)
Chemical Name	(S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanol
EC Number	607-117-1
IUPAC Name	(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
InChI	InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m0/s1
InChI Key	MMSCIQKQJVBPIR-YFKPBYRVSA-N
MDL Number	MFCD03093011
Molecular Formula	C10H8F6O
Molecular Weight	258.1603
SMILES	C[C@H](O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
Synonyms	225920-05-8, (S)-1-(3,5-bis(trifluoromethyl)phenyl)ethanol, (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, (S)-1-(3,5-Bistrifluoromethylphenyl)ethanol, (S)-1-(3,5-Bis-trifluoromethylphenyl)ethanol, (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol, (1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol, (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol, (S)-1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol, C10H8F6O, AK-78690, zlchem 1282, PubChem14255, S-MBT-PEL, SCHEMBL99424, CTK8B6686, DTXSID00431239, ZLE0057, MMSCIQKQJVBPIR-YFKPBYRVSA-N, BCP06812, KS-00000G4F, ZINC2598074, ZX-AP003162, ANW-54007, MFCD03093011, PC0581, AKOS005063596, AC-9533, CB-1543, PS-7385, QC-4064, ABA-9466724, (s)-3,5-bistrifluoromethylphenyl ethanol, AJ-43772, CC-01309, CJ-10441, SC-17298, AB0052226, AX8012709, RT-015530, ST2408243, CS-0077092, FT-0605300, Z6134, K-6324, (S)-1-[3',5'-bis(trifluoromethyl)phenyl]ethanol, (S)-1-[3,5-bis (trifluoromethyl)phenyl]ethanol, (S)-1-[3,5-bis(trifluoromethyl)-phenyl]ethanol, 920B058, C-16059, (S)-(-)-1-(3,5-Bis-trifluoromethylphenyl)ethanol, 3S110995, 3S210926, I01-4542, (1S)-1[3,5-bis(trifluoromethyl)phenyl]ethane-1-ol, (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl Alcohol, (S)-3,5-Bis(trifluoromethyl)-alpha-methylbenzyl Alcohol, (1S)-(-)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol, UNII-03H8X9K3I3 component MMSCIQKQJVBPIR-RXMQYKEDSA-N, UNII-03H8X9K3I3 component MMSCIQKQJVBPIR-YFKPBYRVSA-N, ACN-037810, CID9816575, 1-(3,5-Bis-trifluoromethylphenyl)ethanol, B5244, (S)-1-[3,5-Bis(trifluoromethyl) phenyl]ethanol, (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, 98% - 1G 1g, Benzenemethanol, alpha-methyl-3,5-bis(trifluoromethyl)-, (alphaS)-,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	258.048g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.163g/mol
Monoisotopic Mass	258.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words	unknown

Certificate of Analysis

Lot Number