AG000JCZ

1227581-36-3 | 3-Pyridinemethanol, 2-methoxy-5-(trifluoromethyl)-

AG000JCZ

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CAS Number	1227581-36-3
Catalog Number	AG000JCZ(AGN-PC-0WA294)
Chemical Name	3-Pyridinemethanol, 2-methoxy-5-(trifluoromethyl)-
IUPAC Name	[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]methanol
InChI	InChI=1S/C8H8F3NO2/c1-14-7-5(4-13)2-6(3-12-7)8(9,10)11/h2-3,13H,4H2,1H3
InChI Key	LJXHXJFJZDJWFX-UHFFFAOYSA-N
MDL Number	MFCD16611570
Molecular Formula	C8H8F3NO2
Molecular Weight	207.1498
SMILES	OCC1=CC(C(F)(F)F)=CN=C1OC
Synonyms	1227581-36-3, (2-methoxy-5-(trifluoromethyl)pyridin-3-yl)methanol, (5-(TRIFLUOROMETHYL)-2-METHOXYPYRIDIN-3-YL)METHANOL, [2-methoxy-5-(trifluoromethyl)pyridin-3-yl]methanol, MFCD16611570, 2-methoxy-5-(trifluoromethyl)pyridine-3-methanol, SCHEMBL16395538, DTXSID80856527, LJXHXJFJZDJWFX-UHFFFAOYSA-N, ZINC91692961, AKOS022173501, FCH1345013, QC-3049, SB21265, KS-000008I5, AS-45792, BL010240, AB0087238, AJ-131935, AX8281944, CS-0053009, X-1234, 3-Pyridinemethanol, 2-methoxy-5-(trifluoromethyl)-,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.051g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.152g/mol
Monoisotopic Mass	207.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number