AG000ZOD

131747-57-4 | 3-Pyridinemethanol, 2-(trifluoromethyl)-

AG000ZOD

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CAS Number	131747-57-4
Catalog Number	AG000ZOD(AGN-PC-002GHA)
Chemical Name	3-Pyridinemethanol, 2-(trifluoromethyl)-
IUPAC Name	[2-(trifluoromethyl)pyridin-3-yl]methanol
InChI	InChI=1S/C7H6F3NO/c8-7(9,10)6-5(4-12)2-1-3-11-6/h1-3,12H,4H2
InChI Key	BQDXBKVSCIWSIJ-UHFFFAOYSA-N
MDL Number	MFCD11100743
Molecular Formula	C7H6F3NO
Molecular Weight	177.1238
SMILES	OCC1=CC=CN=C1C(F)(F)F
Synonyms	(2-(trifluoromethyl)pyridin-3-yl)methanol, 131747-57-4, 2-(TRIFLUOROMETHYL)-3-PYRIDINEMETHANOL, [2-(trifluoromethyl)pyridin-3-yl]methanol, (2-trifluoromethyl-pyridin-3-yl)-methanol, 3-pyridinemethanol, 2-(trifluoromethyl)-, 3-Pyridinemethanol,2-(trifluoromethyl)-, PubChem16987, ACMC-1C98I, SCHEMBL844943, CTK4B7480, DTXSID60563707, BQDXBKVSCIWSIJ-UHFFFAOYSA-N, BCP10990, ANW-72032, MFCD11100743, ZINC35570016, AKOS006308961, 2-(trifluoromethyl)pyridine-3-methanol, RP03029, AC-27636, AJ-91549, AK-57687, SC-30080, RT-007266, 4CH-003060, AM20050766, FT-0688628, ST24033799, Y7404, C-2266, I02-2603, W-205372, C7H6F3NO, ACN-027973,

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	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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