AG000ZRG

131803-48-0 | 3-Pyridinecarboxylic acid, 6-(bromomethyl)-, methyl ester

AG000ZRG

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CAS Number	131803-48-0
Catalog Number	AG000ZRG(AGN-PC-0NK4YH)
Chemical Name	3-Pyridinecarboxylic acid, 6-(bromomethyl)-, methyl ester
IUPAC Name	methyl 6-(bromomethyl)pyridine-3-carboxylate
InChI	InChI=1S/C8H8BrNO2/c1-12-8(11)6-2-3-7(4-9)10-5-6/h2-3,5H,4H2,1H3
InChI Key	IRQSKJQDKUAART-UHFFFAOYSA-N
MDL Number	MFCD10566280
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	BrCC1=NC=C(C(=O)OC)C=C1
Synonyms	methyl 6-(bromomethyl)nicotinate, 131803-48-0, methyl 6-(bromomethyl)pyridine-3-carboxylate, 6-BROMOMETHYL-NICOTINIC ACID METHYL ESTER, methyl 6-bromomethylnicotinate, methyl6-(bromomethyl)nicotinate, 3-Pyridinecarboxylic acid, 6-(bromomethyl)-, methyl ester, 6-Bromomethylnicotinic acid methyl ester, AK-49350, 283173-39-7, methyl6-bromomethylnicotinate, SCHEMBL480126, CTK4B7528, KS-00000BTI, IRQSKJQDKUAART-UHFFFAOYSA-N, methyl-6-(bromomethyl)-nicotinate, ALBB-027194, BCP21940, ZX-AN025703, ANW-74513, MFCD10566280, SBB097527, ZINC39278973, AKOS015851353, AB56164, FCH1400439, TRA-0178178, 2-bromomethyl-5-methoxycarbonyl-pyridine, AC-26881, AJ-99600, DS-15020, OR346134, SC-13235, SY027655, AB0002013, AX8212401, DB-062855, methyl 2-bromomethyl-5-pyridine carboxylate, TR-035613, CS-0012617, FT-0682747, Methyl 2-(bromomethyl)pyridine-5-carboxylate, methyl 6-(bromomethyl) pyridine-3-carboxylate, MFCD10566280 (95%), Z-6204, I14-14442, ACN-043532, A11422, 6-Bromomethyl-nicotinic acid methyl ester, 95% - 250MG 250mg,

Complexity	163
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	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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