AG001C80

1402666-66-3 | 2-Pyridinecarboxylic acid, 6-bromo-3-methyl-, methyl ester

AG001C80

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CAS Number	1402666-66-3
Catalog Number	AG001C80
Chemical Name	2-Pyridinecarboxylic acid, 6-bromo-3-methyl-, methyl ester
IUPAC Name	methyl 6-bromo-3-methylpyridine-2-carboxylate
InChI	InChI=1S/C8H8BrNO2/c1-5-3-4-6(9)10-7(5)8(11)12-2/h3-4H,1-2H3
InChI Key	SIGRANATNWQVJF-UHFFFAOYSA-N
MDL Number	MFCD26517010
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	O=C(C1=NC(Br)=CC=C1C)OC
Synonyms	1402666-66-3, 6-Bromo-3-methyl-pyridine-2-carboxylic acid methyl ester, SCHEMBL17753595, Methyl 6-bromo-3-methylpicolinate, AKOS024155342, ZINC220541538, 2-Pyridinecarboxylic acid, 6-bromo-3-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	228.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.061g/mol
Monoisotopic Mass	228.974g/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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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