AG008AIW

886365-06-6 | Methyl 5-bromo-4-methylpicolinate

AG008AIW

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CAS Number	886365-06-6
Catalog Number	AG008AIW(AGN-PC-0BHSDX)
Chemical Name	Methyl 5-bromo-4-methylpicolinate
IUPAC Name	methyl 5-bromo-4-methylpyridine-2-carboxylate
InChI	InChI=1S/C8H8BrNO2/c1-5-3-7(8(11)12-2)10-4-6(5)9/h3-4H,1-2H3
InChI Key	WNUFTWCRMKYPKE-UHFFFAOYSA-N
MDL Number	MFCD07375102
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	COC(=O)C1=NC=C(C(=C1)C)Br
Synonyms	Methyl 5-bromo-4-methylpicolinate, 886365-06-6, methyl 5-bromo-4-methylpyridine-2-carboxylate, 5-Bromo-4-methyl-pyridine-2-carboxylic acid methyl ester, ACMC-209qvb, SCHEMBL1459953, CTK8B2568, KS-00000JWG, DTXSID80718277, WNUFTWCRMKYPKE-UHFFFAOYSA-N, ANW-39093, MFCD07375102, ZINC71787941, AKOS015919984, AB41177, CS-W009204, FS-3077, RP27866, AK-36736, BR-36736, QC-11764, SY039035, AB0027309, AJ-118521, ST2419595, TC-127838, 4CH-012617, FT-0694760, W9129, MFCD07375102 (95%), S-6652, J-522458, 5-Bromo-4-Methyl-pyridine-2-carboxylicacid methyl ester, 5-Bromo-4-methylpyridine-2-carboxylic acid methyl ester, 5-BROMO-4-METHYL-PYRIDINE-2-CARBOXYLIC ACID METHYLESTER, C8H8BrNO2, Methyl5-bromo-4-methylpyridine-2-carboxylate,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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