AG003RX7

1211589-41-1 | Methyl 5-bromo-2-(trifluoromethyl)isonicotinate

AG003RX7

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CAS Number	1211589-41-1
Catalog Number	AG003RX7(AGN-PC-0J0YC8)
Chemical Name	Methyl 5-bromo-2-(trifluoromethyl)isonicotinate
IUPAC Name	methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate
InChI	InChI=1S/C8H5BrF3NO2/c1-15-7(14)4-2-6(8(10,11)12)13-3-5(4)9/h2-3H,1H3
InChI Key	AQNNNSGGBWAUQD-UHFFFAOYSA-N
MDL Number	MFCD16657895
Molecular Formula	C8H5BrF3NO2
Molecular Weight	284.0300
SMILES	O=C(OC)C1=C(Br)C=NC(C(F)(F)F)=C1
Synonyms	Methyl 5-bromo-2-(trifluoromethyl)isonicotinate, 1211589-41-1, methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate, SCHEMBL17293016, CTK8C4071, KS-00000BRY, DTXSID50743894, ANW-71018, MFCD16657895, ZINC85224841, AKOS016007923, TRA0011786, AK104763, AS-32014, SY023856, AJ-127623, AX8238971, TC-159763, Methyl5-Bromo-2-(trifluoromethyl)isonicotinate, Z-3473, MFCD16657895 (97+%), 5-BROMO-2-TRIFLUOROMETHYL-ISONICOTINIC ACID METHYL ESTER, 5-Bromo-2-(trifluoromethyl)-4-pyridinecarboxylic acid methyl ester,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.946g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.032g/mol
Monoisotopic Mass	282.946g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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