AG002G6A

192642-95-8 | 2-Pyridineacetic acid, 3-bromo-, methyl ester

AG002G6A

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CAS Number	192642-95-8
Catalog Number	AG002G6A(AGN-PC-0BSYVD)
Chemical Name	2-Pyridineacetic acid, 3-bromo-, methyl ester
IUPAC Name	methyl 2-(3-bromopyridin-2-yl)acetate
InChI	InChI=1S/C8H8BrNO2/c1-12-8(11)5-7-6(9)3-2-4-10-7/h2-4H,5H2,1H3
InChI Key	KCXIUMHZGOAWOW-UHFFFAOYSA-N
MDL Number	MFCD19707048
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	O=C(OC)CC1=NC=CC=C1Br
Synonyms	Methyl 2-(3-bromopyridin-2-yl)acetate, 192642-95-8, METHYL 3-BROMOPYRIDINE-2-ACETATE, SCHEMBL75589, DTXSID40725568, KS-000006NU, Methyl (3-bromopyridin-2-yl)acetate, MFCD19707048, ZINC72267039, AKOS016013364, PB23028, AS-34322, DA-19115, AJ-120918, CS-0049209, FT-0709053, 2-Pyridineacetic acid, 3-bromo-, methyl ester, C-8507, Methyl2-(3-bromopyridin-2-yl)acetate,

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	1.4

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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