AG0095DR

1206968-90-2 | (5-bro-3-(trifluoromethyl)pyridine-2-yl)methanol

AG0095DR

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CAS Number	1206968-90-2
Catalog Number	AG0095DR(AGN-PC-0H8XNU)
Chemical Name	(5-bro-3-(trifluoromethyl)pyridine-2-yl)methanol
IUPAC Name	[5-bromo-3-(trifluoromethyl)pyridin-2-yl]methanol
InChI	InChI=1S/C7H5BrF3NO/c8-4-1-5(7(9,10)11)6(3-13)12-2-4/h1-2,13H,3H2
InChI Key	QMAJKOPVUYTESD-UHFFFAOYSA-N
MDL Number	MFCD16606946
Molecular Formula	C7H5BrF3NO
Molecular Weight	256.0199
SMILES	OCC1=NC=C(Br)C=C1C(F)(F)F
Synonyms	1206968-90-2, (5-Bromo-3-(trifluoromethyl)pyridin-2-yl)methanol, [5-bromo-3-(trifluoromethyl)pyridin-2-yl]methanol, (5-bromo-3-trifluoromethylpyridin-2-yl)methanol, 5-bromo-3-(trifluoromethyl)pyridine-2-methanol, (5-Bromo-3-(trifluoromethyl)pyridine-2-yl)methanol, (5-bro-3-(trifluoromethyl)pyridine-2-yl)methanol, SCHEMBL1577283, QMAJKOPVUYTESD-UHFFFAOYSA-N, MFCD16606946, ZINC95630946, AKOS024262670, NE54050, SB12661, AJ-133169, ST2402444, 4CH-003793, Z2442033756,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.951g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	256.022g/mol
Monoisotopic Mass	254.951g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number