AG0099C4

1093880-34-2 | 6-Chloro-2-fluoro-nicotinic acid methyl ester

AG0099C4

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CAS Number	1093880-34-2
Catalog Number	AG0099C4(AGN-PC-0CZ52B)
Chemical Name	6-Chloro-2-fluoro-nicotinic acid methyl ester
IUPAC Name	methyl 6-chloro-2-fluoropyridine-3-carboxylate
InChI	InChI=1S/C7H5ClFNO2/c1-12-7(11)4-2-3-5(8)10-6(4)9/h2-3H,1H3
InChI Key	QDBMCQOUBIVORI-UHFFFAOYSA-N
MDL Number	MFCD16658093
Molecular Formula	C7H5ClFNO2
Molecular Weight	189.5715
SMILES	O=C(OC)C1=C(F)N=C(Cl)C=C1
Synonyms	Methyl 6-chloro-2-fluoronicotinate, 1093880-34-2, methyl 6-chloro-2-fluoropyridine-3-carboxylate, 6-CHLORO-2-FLUORO-NICOTINIC ACID METHYL ESTER, SCHEMBL3511337, DTXSID40732318, QDBMCQOUBIVORI-UHFFFAOYSA-N, MFCD16658093, ZINC91297377, FCH1155853, AK120437, AS-50328, AJ-129407, AX8245853, Methyl6-chloro-2-fluoronicotinate,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.57g/mol
Monoisotopic Mass	188.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^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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