AG0018WX

138624-99-4 | 2,2,2-Trifluoro-1-(pyridin-3-yl)ethanol

AG0018WX

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CAS Number	138624-99-4
Catalog Number	AG0018WX(AGN-PC-0PN1G6)
Chemical Name	2,2,2-Trifluoro-1-(pyridin-3-yl)ethanol
IUPAC Name	2,2,2-trifluoro-1-pyridin-3-ylethanol
InChI	InChI=1S/C7H6F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h1-4,6,12H
InChI Key	LHXKPHQPUHHFQW-UHFFFAOYSA-N
MDL Number	MFCD16067922
Molecular Formula	C7H6F3NO
Molecular Weight	177.1238
SMILES	C1=CC(=CN=C1)C(C(F)(F)F)O
Synonyms	2,2,2-Trifluoro-1-(pyridin-3-yl)ethanol, 138624-99-4, 2,2,2-trifluoro-1-(pyridin-3-yl)ethan-1-ol, 2,2,2-trifluoro-1-(3-pyridyl)ethanol, MFCD16067922, 1226507-63-6, 1226507-66-9, AC1Q76RL, SCHEMBL2422771, KS-00000RXF, DTXSID00459014, LHXKPHQPUHHFQW-UHFFFAOYSA-N, RB1149, AKOS008148938, MCULE-3715654770, NE40653, 2,2,2-Trifluoro-1-(3-pyridyl)ethanone, AS-54408, alpha-(Trifluoromethyl)pyridine-3-methanol, ST2415571, 3-Pyridinemethanol, alpha-(trifluoromethyl)-, 4CH-012632, EN300-72242, 10.14272/LHXKPHQPUHHFQW-UHFFFAOYSA-N, 3-(2,2,2-trifluoro-1-hydroxyethyl) pyridine, doi:10.14272/LHXKPHQPUHHFQW-UHFFFAOYSA-N, CID11217557, 2,2,2-trifluoro-1-pyridin-3-yl-ethanol, (1R)-2,2,2-trifluoro-1-(pyridin-3-yl)ethan-1-ol, (1S)-2,2,2-trifluoro-1-(pyridin-3-yl)ethan-1-ol,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.126g/mol
Monoisotopic Mass	177.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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