AG005DVE

741683-19-2 | 3-Chloro-2-fluoroisonicotinic acid

AG005DVE

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CAS Number	741683-19-2
Catalog Number	AG005DVE(AGN-PC-0NI00O)
Chemical Name	3-Chloro-2-fluoroisonicotinic acid
IUPAC Name	3-chloro-2-fluoropyridine-4-carboxylic acid
InChI	InChI=1S/C6H3ClFNO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2H,(H,10,11)
InChI Key	PYLURACOOBPBPM-UHFFFAOYSA-N
MDL Number	MFCD09031169
Molecular Formula	C6H3ClFNO2
Molecular Weight	175.5449
SMILES	c1cnc(c(c1C(=O)O)Cl)F
Synonyms	741683-19-2, 3-Chloro-2-fluoropyridine-4-carboxylic acid, 3-CHLORO-2-FLUOROISONICOTINIC ACID, 3-Chloro-2-fluoro-isonicotinic acid, 2-fluoro-3-chloro-4-pyridinecarboxylic acid, SCHEMBL481041, CTK2H6690, DTXSID40479236, PYLURACOOBPBPM-UHFFFAOYSA-N, 2-fluoro-3chloro-isonicotinic acid, 2-fluoro-3-chloro-isonicotinic acid, ANW-71709, MFCD09031169, ZINC21991270, AKOS006290074, AB49339, RP02933, AJ-79715, AS-19833, BC214602, SC-88265, DB-082121, TC-160454, FT-0736719, Y9969, 4-Pyridinecarboxylicacid, 3-chloro-2-fluoro-, 3-CHLORO-2-FLUORO-4-PYRIDINECARBOXYLIC ACID, J-512188, 3-chloro-2-fluoropyridine-4-carboxylic acid, AldrichCPR, C6H3ClFNO2, ACN-055584,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.543g/mol
Monoisotopic Mass	174.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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