AG000TRL

129904-48-9 | 2-Hydroxy-5-(trifluoromethyl)nicotinaldehyde

AG000TRL

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CAS Number	129904-48-9
Catalog Number	AG000TRL(AGN-PC-0WCTC4)
Chemical Name	2-Hydroxy-5-(trifluoromethyl)nicotinaldehyde
IUPAC Name	2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
InChI	InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-4(3-12)6(13)11-2-5/h1-3H,(H,11,13)
InChI Key	RFGNOPWHPRCTPY-UHFFFAOYSA-N
MDL Number	MFCD09909904
Molecular Formula	C7H4F3NO2
Molecular Weight	191.1074
SMILES	O=CC1=C(O)N=CC(C(F)(F)F)=C1
Synonyms	129904-48-9, 2-HYDROXY-5-(TRIFLUOROMETHYL)NICOTINALDEHYDE, 2-oxo-5-(trifluoromethyl)-1,2-dihydropyridine-3-carbaldehyde, 3-Pyridinecarboxaldehyde,1,2-dihydro-2-oxo-5-(trifluoromethyl)-, ACMC-20mtf8, SCHEMBL4515539, SCHEMBL9730796, CTK4B6435, DTXSID20600304, RFGNOPWHPRCTPY-UHFFFAOYSA-N, FCH876650, MFCD09909904, ZINC95097499, 3-formyl-5-trifluoromethyl-2-pyridone, AKOS006312763, AB55038, AS-41753, DA-12853, SC-29945, AJ-132608, 3-Formyl-2-hydroxy-5-trifluoromethylpyridine, FT-0762160, 2-Hydroxy-5-trifluoromethyl-pyridine-3-carbaldehyd, 2-hydroxy-5-trifluoromethylpyridine-3-carbaldehyde, 2-HYDROXY-5-TRIFLUOROMETHYL-PYRIDINE-3-CARBALDEHYDE, 3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-5-(trifluoromethyl)-,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.019g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.109g/mol
Monoisotopic Mass	191.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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