AG0015CX

1215916-40-7 | 3-Pyridinecarboxylic acid, 5-bromo-2-methyl-, methyl ester

AG0015CX

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CAS Number	1215916-40-7
Catalog Number	AG0015CX(AGN-PC-0WADZT)
Chemical Name	3-Pyridinecarboxylic acid, 5-bromo-2-methyl-, methyl ester
IUPAC Name	methyl 5-bromo-2-methylpyridine-3-carboxylate
InChI	InChI=1S/C8H8BrNO2/c1-5-7(8(11)12-2)3-6(9)4-10-5/h3-4H,1-2H3
InChI Key	UZSAODVBMBLKCX-UHFFFAOYSA-N
MDL Number	MFCD13705366
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	O=C(OC)C1=C(C)N=CC(Br)=C1
Synonyms	Methyl 5-bromo-2-methylnicotinate, 1215916-40-7, methyl 5-bromo-2-methylpyridine-3-carboxylate, CTK8C3398, DTXSID70743770, 3941AA, ANW-70044, MFCD13705366, ZINC40546590, AKOS016001949, FCH1383778, AK100653, AS-33305, AJ-103425, AX8241583, TC-158789, CS-0081034, ST24025411, 3-Pyridinecarboxylic acid, 5-bromo-2-methyl-, methyl ester, C8H8BrNO2, Methyl5-bromo-2-methylnicotinate,

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	1.8

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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