AG000OEY

1256808-62-4 | 3-Pyridinecarboxylic acid, 5-bromo-4-chloro-, methyl ester

AG000OEY

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CAS Number	1256808-62-4
Catalog Number	AG000OEY(AGN-PC-0WD2WC)
Chemical Name	3-Pyridinecarboxylic acid, 5-bromo-4-chloro-, methyl ester
IUPAC Name	methyl 5-bromo-4-chloropyridine-3-carboxylate
InChI	InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-10-3-5(8)6(4)9/h2-3H,1H3
InChI Key	WJJBNSODAKTWHI-UHFFFAOYSA-N
MDL Number	MFCD18257863
Molecular Formula	C7H5BrClNO2
Molecular Weight	250.4771
SMILES	O=C(OC)C1=CN=CC(Br)=C1Cl
Synonyms	Methyl 5-bromo-4-chloronicotinate, 1256808-62-4, methyl 5-bromo-4-chloropyridine-3-carboxylate, DTXSID90856694, MFCD18257863, ZINC95829907, DS-5832, FCH1365864, QC-8868, AK137337, AJ-134055, AX8258905, FT-0735327, Methyl 5-bromo-4-chloronicotite,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.919g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.476g/mol
Monoisotopic Mass	248.919g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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