AG000ODL

1256789-73-7 | 3-Pyridinecarboxylic acid, 6-bromo-4-chloro-, methyl ester

AG000ODL

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CAS Number	1256789-73-7
Catalog Number	AG000ODL(AGN-PC-0WAK85)
Chemical Name	3-Pyridinecarboxylic acid, 6-bromo-4-chloro-, methyl ester
IUPAC Name	methyl 6-bromo-4-chloropyridine-3-carboxylate
InChI	InChI=1S/C7H5BrClNO2/c1-12-7(11)4-3-10-6(8)2-5(4)9/h2-3H,1H3
InChI Key	ZEASAUSJELNJFI-UHFFFAOYSA-N
MDL Number	MFCD18257847
Molecular Formula	C7H5BrClNO2
Molecular Weight	250.4771
SMILES	O=C(OC)C1=CN=C(Br)C=C1Cl
Synonyms	methyl 6-bromo-4-chloronicotinate, 1256789-73-7, methyl 6-bromo-4-chloropyridine-3-carboxylate, AK157951, SCHEMBL4020131, KS-00000SFU, DTXSID80744293, ZEASAUSJELNJFI-UHFFFAOYSA-N, MFCD18257847, QC-718, ZINC77011322, AKOS024262309, CS-W022874, DS-9120, FCH1365848, AB0071321, AJ-122297, AX8291899, ST24048035, 3-Pyridinecarboxylic acid, 6-bromo-4-chloro-, methyl ester,

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	2.4

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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