AG007MOS

136227-39-9 | Methyl 2-bromo-5-methylnicotinate

AG007MOS

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CAS Number	136227-39-9
Catalog Number	AG007MOS(AGN-PC-0KZES1)
Chemical Name	Methyl 2-bromo-5-methylnicotinate
IUPAC Name	methyl 2-bromo-5-methylpyridine-3-carboxylate
InChI	InChI=1S/C8H8BrNO2/c1-5-3-6(8(11)12-2)7(9)10-4-5/h3-4H,1-2H3
InChI Key	XSYQCMMZAQCJKA-UHFFFAOYSA-N
MDL Number	MFCD05669334
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	O=C(OC)C1=C(Br)N=CC(C)=C1
Synonyms	methyl 2-bromo-5-methylnicotinate, 136227-39-9, methyl 2-bromo-5-methylpyridine-3-carboxylate, AK100323, AC1MVZLJ, SCHEMBL9119331, CTK8C3639, DTXSID50395796, ZINC4105348, 6449AA, ANW-70351, MFCD05669334, AKOS015994106, FCH1376830, MCULE-5837836847, MS-0860, AJ-48078, AX8241278, TC-159096, ST24025223, C8H8BrNO2, Methyl2-bromo-5-methylnicotinate, ZINC04105348, CID3741173,

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	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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