AG000JAQ

1227515-52-7 | 2-Pyridinemethanol, 3-fluoro-5-(trifluoromethyl)-

AG000JAQ

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CAS Number	1227515-52-7
Catalog Number	AG000JAQ(AGN-PC-09RVZK)
Chemical Name	2-Pyridinemethanol, 3-fluoro-5-(trifluoromethyl)-
IUPAC Name	[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]methanol
InChI	InChI=1S/C7H5F4NO/c8-5-1-4(7(9,10)11)2-12-6(5)3-13/h1-2,13H,3H2
InChI Key	GIWSPFNMLIYZKI-UHFFFAOYSA-N
MDL Number	MFCD11848347
Molecular Formula	C7H5F4NO
Molecular Weight	195.1143
SMILES	FC=1C(=NC=C(C1)C(F)(F)F)CO
Synonyms	1227515-52-7, (3-Fluoro-5-(trifluoromethyl)pyridin-2-yl)methanol, [3-fluoro-5-(trifluoromethyl)pyridin-2-yl]methanol, (3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-METHANOL, (3-fluoro-5-(trifluoromethyl)pyridine-2-yl)methanol, 3-Fluoro-2-(hydroxymethyl)-5-(trifluoromethyl)pyridine, AK158969, 3-fluoro-5-(trifluoromethyl)pyridine-2-methanol, SCHEMBL18975045, 4746AJ, MFCD11848347, ZINC98086081, AKOS024262673, DS-9616, FCH1158997, SB13046, TRA0008493, KS-000004R2, SC-26458, SY033959, AJ-138536, AX8292482, ST2402336, 4CH-003798, FT-0753527, MFCD11848347 (95%), 2-Pyridinemethanol, 3-fluoro-5-(trifluoromethyl)-, C7H5F4NO, 100-97-0,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.031g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.117g/mol
Monoisotopic Mass	195.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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