AG00FBK9

705961-96-2 | 5-(2-Fluorophenyl)nicotinic acid

AG00FBK9

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CAS Number	705961-96-2
Catalog Number	AG00FBK9(AGN-PC-02MGE4)
Chemical Name	5-(2-Fluorophenyl)nicotinic acid
IUPAC Name	5-(2-fluorophenyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C12H8FNO2/c13-11-4-2-1-3-10(11)8-5-9(12(15)16)7-14-6-8/h1-7H,(H,15,16)
InChI Key	UEEMCRBSNWWVAA-UHFFFAOYSA-N
MDL Number	MFCD06410258
Molecular Formula	C12H8FNO2
Molecular Weight	217.1958
SMILES	O=C(O)C1=CN=CC(C2=CC=CC=C2F)=C1
Synonyms	5-(2-Fluorophenyl)nicotinic acid, 705961-96-2, 5-(2-fluorophenyl)pyridine-3-carboxylic acid, 5-(2-fluorophenyl)-3-pyridinecarboxylic acid, SCHEMBL2515900, CTK7C2365, DTXSID90602476, 0939AC, KM1356, MFCD06410258, ZINC12955784, AKOS004118910, AB24234, RL04706, AJ-63205, AK-83476, DS-17219, SY015776, DB-024162, TC-307753, FT-0762966, 3-Pyridinecarboxylicacid,5-(2-fluorophenyl)-, MFCD06410258 (95%), A836931, 3-PYRIDINECARBOXYLIC ACID, 5-(2-FLUOROPHENYL)-, 5-(2-fluorophenyl)pyridine-3-carboxylic acid, AldrichCPR, C12H8FNO2, 38533-61-8,

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-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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