AG002ASB

197376-41-3 | 2-​Pyridineacetic acid, 3-​bromo-​, ethyl ester

AG002ASB

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CAS Number	197376-41-3
Catalog Number	AG002ASB(AGN-PC-00OW7J)
Chemical Name	2-​Pyridineacetic acid, 3-​bromo-​, ethyl ester
IUPAC Name	ethyl 2-(3-bromopyridin-2-yl)acetate
InChI	InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-8-7(10)4-3-5-11-8/h3-5H,2,6H2,1H3
InChI Key	QRYDVMPGEGDIGJ-UHFFFAOYSA-N
MDL Number	MFCD10566269
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	C(C(=O)OCC)c1c(Br)cccn1
Synonyms	ETHYL 2-(3-BROMOPYRIDIN-2-YL)ACETATE, 197376-41-3, Ethyl 2-(3-Bromo-2-pyridyl)acetate, (3-Bromo-pyridin-2-yl)-acetic acid ethyl ester, 2-Pyridineacetic acid, 3-bromo-, ethyl ester, AK-82088, SCHEMBL4882694, CTK8C2117, DTXSID40571547, KS-000008HG, Ethyl (3-bromopyridin-2-yl)acetate, 0169AB, ANW-67840, MFCD10566269, ZINC85223845, AKOS015995491, SB21119, AM807654, BBV-75779762, DA-19122, DS-16506, SC-43224, SY025618, 3-Bromopyridine-2-acetic acid ethyl ester, AB0050661, AJ-127329, AX8236805, ST2406868, TC-156585, 4CH-017509, CS-0041501, FT-0724961, MFCD10566269 (95%), W-4304, C9H10BrNO2,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.989g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.088g/mol
Monoisotopic Mass	242.989g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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