AG00EIGL

582325-22-2 | 6-(3-Fluorophenyl)-nicotinic acid

AG00EIGL

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CAS Number	582325-22-2
Catalog Number	AG00EIGL(AGN-PC-04Q6I7)
Chemical Name	6-(3-Fluorophenyl)-nicotinic acid
IUPAC Name	6-(3-fluorophenyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C12H8FNO2/c13-10-3-1-2-8(6-10)11-5-4-9(7-14-11)12(15)16/h1-7H,(H,15,16)
InChI Key	OYDONGYKOJEHSZ-UHFFFAOYSA-N
MDL Number	MFCD06410387
Molecular Formula	C12H8FNO2
Molecular Weight	217.1958
SMILES	OC(=O)C1=CC=C(N=C1)C1=CC=CC(F)=C1
Synonyms	6-(3-Fluorophenyl)nicotinic acid, 582325-22-2, 6-(3-FLUOROPHENYL)-3-PYRIDINECARBOXYLIC ACID, 6-(3-FLUOROPHENYL)-NICOTINIC ACID, 6-(3-FLUOROPHENYL)PYRIDINE-3-CARBOXYLIC ACID, ACMC-1AU5I, SCHEMBL1543156, CTK5A8042, KS-00002BLC, DTXSID60647031, OYDONGYKOJEHSZ-UHFFFAOYSA-N, 8623AB, ANW-32897, MFCD06410387, ZINC35630083, AKOS016003041, AB24339, AJ-91812, SY014585, TS-03108, AX8169536, DB-023601, TC-121642, FT-0733765, MFCD06410387 (95%), 3-Pyridinecarboxylic acid, 6-(3-fluorophenyl)-, C12H8FNO2,

Complexity	259
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-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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