AG00HFYF

1211532-15-8 | 6-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid

AG00HFYF

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CAS Number	1211532-15-8
Catalog Number	AG00HFYF(AGN-PC-0D0RZM)
Chemical Name	6-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
IUPAC Name	6-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C8H6F3NO3/c1-15-6-5(8(9,10)11)2-4(3-12-6)7(13)14/h2-3H,1H3,(H,13,14)
InChI Key	RFXPVNUCYNQFSJ-UHFFFAOYSA-N
MDL Number	MFCD18254533
Molecular Formula	C8H6F3NO3
Molecular Weight	221.1333
SMILES	O=C(O)C1=CN=C(OC)C(C(F)(F)F)=C1
Synonyms	6-METHOXY-5-(TRIFLUOROMETHYL)NICOTINIC ACID, 1211532-15-8, 6-METHOXY-5-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID, SCHEMBL2706774, RFXPVNUCYNQFSJ-UHFFFAOYSA-N, MFCD18254533, ZINC95763631, AKOS024261305, AB74594, DS-8646, AK155818, SC-66139, AJ-133834, AX8290256,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.135g/mol
Monoisotopic Mass	221.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.4A^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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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