AG003Q1K

51054-99-0 | (3-Bromo-pyridin-4-yl)-acetic acid ethyl ester

AG003Q1K

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CAS Number	51054-99-0
Catalog Number	AG003Q1K(AGN-PC-00OW7M)
Chemical Name	(3-Bromo-pyridin-4-yl)-acetic acid ethyl ester
IUPAC Name	ethyl 2-(3-bromopyridin-4-yl)acetate
InChI	InChI=1S/C9H10BrNO2/c1-2-13-9(12)5-7-3-4-11-6-8(7)10/h3-4,6H,2,5H2,1H3
InChI Key	HYSNMDQIDZNCAC-UHFFFAOYSA-N
MDL Number	MFCD17011773
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	CCOC(=O)CC1=C(Br)C=NC=C1
Synonyms	ETHYL 2-(3-BROMOPYRIDIN-4-YL)ACETATE, 51054-99-0, 4-Pyridineacetic acid, 3-bromo-, ethyl ester, (3-Bromo-pyridin-4-yl)-aceticacidethylester, Ethyl 3-bromo-4-pyridineacetate, (3-Bromo-pyridin-4-yl)-acetic acid ethyl ester, AK-89593, CTK4J3549, KS-00000ICA, DTXSID60571549, Ethyl (3-bromo-4-pyridyl)acetate, CS-B0995, Ethyl (3-bromo-4-pyridinyl)acetate, Ethyl (3-bromopyridin-4-yl)acetate, 7074AB, ANW-65632, MFCD17011773, ZINC34530394, AKOS015843377, SB13849, TRA0078189, AJ-89125, DS-16562, SC-30102, 3-Bromopyridine-4-acetic acid ethyl ester, AB1005870, AX8167665, DB-011267, TC-063241, 4CH-000346, FT-0724170, ST24046789, null, C9H10BrNO2, A7553,

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	3
Hazard statements	H226-H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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