AG006YW9

223127-24-0 | 6-(4-Fluorophenyl)nicotinic acid

AG006YW9

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CAS Number	223127-24-0
Catalog Number	AG006YW9(AGN-PC-03TYKT)
Chemical Name	6-(4-Fluorophenyl)nicotinic acid
IUPAC Name	6-(4-fluorophenyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C12H8FNO2/c13-10-4-1-8(2-5-10)11-6-3-9(7-14-11)12(15)16/h1-7H,(H,15,16)
InChI Key	LJIXMNTVEKBCRG-UHFFFAOYSA-N
MDL Number	MFCD06410388
Molecular Formula	C12H8FNO2
Molecular Weight	217.1958
SMILES	OC(C1=CN=C(C2=CC=C(F)C=C2)C=C1)=O
Synonyms	6-(4-Fluorophenyl)nicotinic acid, 223127-24-0, 6-(4-FLUOROPHENYL)PYRIDINE-3-CARBOXYLIC ACID, 6-(4-fluorophenyl)-pyridine-3-carboxylic acid, SCHEMBL2947695, CTK1A0225, KS-00002BLB, DTXSID20627879, LJIXMNTVEKBCRG-UHFFFAOYSA-N, 1284AB, 6-(4-fluoro-phenyl)-nicotinic acid, MFCD06410388, ZINC12955819, AKOS016013697, AB24340, AJ-63213, AK-83479, SY015831, TS-03107, AX8169537, DB-024037, TC-307956, FT-0765623, MFCD06410388 (95%), 3-Pyridinecarboxylicacid, 6-(4-fluorophenyl)-, 6-(4-FLUOROPHENYL)-3-PYRIDINECARBOXYLIC ACID, F2167-1002, 6-(4-fluorophenyl)pyridine-3-carboxylic acid, AldrichCPR, C12H8FNO2, 6-(4-fluorophenyl)-nicotinic acid, 31543-75-6,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.054g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.199g/mol
Monoisotopic Mass	217.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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