AG000JD5

1227595-02-9 | 3-Pyridinecarboxylic acid, 6-fluoro-2-methyl-, methyl ester

AG000JD5

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CAS Number	1227595-02-9
Catalog Number	AG000JD5(AGN-PC-0WAMFT)
Chemical Name	3-Pyridinecarboxylic acid, 6-fluoro-2-methyl-, methyl ester
IUPAC Name	methyl 6-fluoro-2-methylpyridine-3-carboxylate
InChI	InChI=1S/C8H8FNO2/c1-5-6(8(11)12-2)3-4-7(9)10-5/h3-4H,1-2H3
InChI Key	LLWCAHFEDSDTQN-UHFFFAOYSA-N
MDL Number	MFCD16611614
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	O=C(OC)C1=C(C)N=C(F)C=C1
Synonyms	Methyl 6-fluoro-2-methylnicotinate, 1227595-02-9, methyl 6-fluoro-2-methylpyridine-3-carboxylate, SCHEMBL9956693, KS-00000TCE, MFCD16611614, AKOS026673996, ZINC197507015, DS-9930, AK198785, 3-Pyridinecarboxylic acid, 6-fluoro-2-methyl-, methyl ester,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.054g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.155g/mol
Monoisotopic Mass	169.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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