AG007Q0W

118650-08-1 | 3-Pyridineacetic acid, 5-broMo-, Methyl ester

AG007Q0W

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CAS Number	118650-08-1
Catalog Number	AG007Q0W(AGN-PC-042GVC)
Chemical Name	3-Pyridineacetic acid, 5-broMo-, Methyl ester
IUPAC Name	methyl 2-(5-bromopyridin-3-yl)acetate
InChI	InChI=1S/C8H8BrNO2/c1-12-8(11)3-6-2-7(9)5-10-4-6/h2,4-5H,3H2,1H3
InChI Key	GHJJIFVFBRAMEB-UHFFFAOYSA-N
MDL Number	MFCD10000065
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	COC(=O)CC1=CC(Br)=CN=C1
Synonyms	METHYL 2-(5-BROMOPYRIDIN-3-YL)ACETATE, 118650-08-1, 3-Pyridineacetic acid, 5-bromo-, methyl ester, Methyl (5-bromopyridin-3-yl)acetate, SCHEMBL746604, CTK8B7274, DTXSID40633593, GHJJIFVFBRAMEB-UHFFFAOYSA-N, methyl(5-bromo-3-pyridinyl)acetate, methyl(5-bromopyridin-3-yl)acetate, 3071AA, ANW-56899, methyl (5-bromo-3-pyridinyl)acetate, MFCD10000065, ZINC85217581, AKOS016002678, CS-W004448, AK-99965, AS-38999, SC-13237, 5-bromopyridine-3-acetic acid methyl ester, AJ-126815, TC-145644, ST24025175, (5-bromo-pyridin-3-yl)acetic acid methyl ester, (5-bromo-pyridin-3-yl)-acetic Acid Methyl Ester, C8H8BrNO2,

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

Certificate of Analysis

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