AG00IF7A

885588-17-0 | 4-Pyridinecarboxylic acid, 5-fluoro-2-methyl-

AG00IF7A

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CAS Number	885588-17-0
Catalog Number	AG00IF7A(AGN-PC-0BY3JC)
Chemical Name	4-Pyridinecarboxylic acid, 5-fluoro-2-methyl-
IUPAC Name	5-fluoro-2-methylpyridine-4-carboxylic acid
InChI	InChI=1S/C7H6FNO2/c1-4-2-5(7(10)11)6(8)3-9-4/h2-3H,1H3,(H,10,11)
InChI Key	BSCAYVVPKICFFM-UHFFFAOYSA-N
MDL Number	MFCD18256823
Molecular Formula	C7H6FNO2
Molecular Weight	155.1264
SMILES	O=C(O)C1=C(F)C=NC(C)=C1
Synonyms	5-Fluoro-2-methylisonicotinic acid, 885588-17-0, AK148000, SCHEMBL2027879, BSCAYVVPKICFFM-UHFFFAOYSA-N, 5-fluoro-2-methyl-isonicotinic acid, MFCD18256823, ZINC82406836, DS-8820, FCH1150153, AJ-125314, AX8285399, CS-0061251, ST24044736, 4-Pyridinecarboxylic acid, 5-fluoro-2-methyl-,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.038g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	155.128g/mol
Monoisotopic Mass	155.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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