AG0014SO

1214328-84-3 | 2-Pyridinecarboxylic acid, 5-bromo-3-(trifluoromethyl)-, methyl ester

AG0014SO

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CAS Number	1214328-84-3
Catalog Number	AG0014SO(AGN-PC-07QVAW)
Chemical Name	2-Pyridinecarboxylic acid, 5-bromo-3-(trifluoromethyl)-, methyl ester
IUPAC Name	methyl 5-bromo-3-(trifluoromethyl)pyridine-2-carboxylate
InChI	InChI=1S/C8H5BrF3NO2/c1-15-7(14)6-5(8(10,11)12)2-4(9)3-13-6/h2-3H,1H3
InChI Key	YRYMNZJJAFOWHH-UHFFFAOYSA-N
MDL Number	MFCD14698001
Molecular Formula	C8H5BrF3NO2
Molecular Weight	284.0300
SMILES	BrC1=CN=C(C(=C1)C(F)(F)F)C(=O)OC
Synonyms	1214328-84-3, METHYL 5-BROMO-3-(TRIFLUOROMETHYL)PICOLINATE, Methyl 5-bromo-3-(trifluoromethyl)-2-pyridinecarboxylate, methyl 5-bromo-3-(trifluoromethyl)pyridine-2-carboxylate, AK-49051, CTK4B2359, KS-00000IHD, DTXSID30673201, ANW-50370, MFCD14698001, ZINC47202259, AKOS015834432, CS-W005680, DS-1203, SB16136, BR-49051, PC408300, AJ-110613, AX8169139, TR-034508, 4CH-009308, ST24031133, X9486, S-7026, 2-Pyridinecarboxylic acid, 5-bromo-3-(trifluoromethyl)-, methyl ester, C8H5BrF3NO2, Methyl5-bromo-3-(trifluoromethyl)-2-pyridinecarboxylate,

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	2.6

GHS Hazard and Precautionary Statements

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

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