AG003RY8

221313-10-6 | Methyl 6-(trifluoromethyl)nicotinate

AG003RY8

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CAS Number	221313-10-6
Catalog Number	AG003RY8(AGN-PC-0KKWZY)
Chemical Name	Methyl 6-(trifluoromethyl)nicotinate
IUPAC Name	methyl 6-(trifluoromethyl)pyridine-3-carboxylate
InChI	InChI=1S/C8H6F3NO2/c1-14-7(13)5-2-3-6(12-4-5)8(9,10)11/h2-4H,1H3
InChI Key	NEATXKNYTRXHQL-UHFFFAOYSA-N
MDL Number	MFCD03001346
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	O=C(OC)C1=CN=C(C(F)(F)F)C=C1
Synonyms	methyl 6-(trifluoromethyl)nicotinate, 221313-10-6, methyl 6-(trifluoromethyl)pyridine-3-carboxylate, METHYL6-(TRIFLUOROMETHYL)NICOTINATE, Methyl 6-trifluoromethylnicotinate, MFCD03001346, 3-pyridinecarboxylic acid, 6-(trifluoromethyl)-, methyl ester, 6-Trifluoromethyl-nicotinic acid methyl ester, 6-trifluoromethylnicotinic acid methyl ester, Methyl 6-(trifluoromethyl)nicotinate, 97%, AC1MCQDH, PubChem18762, methyltrifluoromethylnicotinate, SCHEMBL1317978, CTK4E8711, KS-00000BGQ, DTXSID50379632, NEATXKNYTRXHQL-UHFFFAOYSA-N, ZINC154401, BCP05949, ANW-48451, SBB053844, AKOS005063505, AB12803, CS-W015385, EA-0870, MCULE-9063963879, RP11935, RTR-010423, TRA-0184304, AC-29136, AJ-13207, AK-28358, AN-29606, BR-28358, CJ-01330, QC-10959, SC-24204, SY007338, ZB005768, AB0028290, TR-010423, 4CH-007512, FT-0645553, ST24031154, ST50949722, X0357, MFCD03001346 (97%), C-6012, 82900-EP2298758A1, 82900-EP2298759A1, 82900-EP2305664A1, Methyl 2-(trifluoromethyl)pyridine-5-carboxylate, methyl-2-(trifluoromethyl)pyridine-5-carboxylate, 313M106, 3S110307, I01-7289, J-522521, 6-(TRIFLUOROMETHYL)NICOTINIC ACID METHYL ESTER, METHYL 2-(TRIFLUOROMETHYL)-5-PYRIDINECARBOXYLATE, METHYL6- NICOTINATE, 2,6-Di-tert-butylpyridine, C8H6F3NO2, Methyl 6-(trifluoromethyl)nicotite, ACN-S002137, ZINC00154401, CID2775647, 585-48-8,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.136g/mol
Monoisotopic Mass	205.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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