Ethyl 2-(4-Bromo-2-pyridyl)acetate - CAS 1060814-91-6

Catalog:	BB001799
Product Name:	Ethyl 2-(4-Bromo-2-pyridyl)acetate
CAS:	1060814-91-6
Synonyms:	2-(4-bromo-2-pyridinyl)acetic acid ethyl ester; ethyl 2-(4-bromopyridin-2-yl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(4-bromopyridin-2-yl)acetate
Description:	Ethyl 2-(4-Bromo-2-pyridyl)acetate (CAS# 1060814-91-6) is a useful research chemical.
Molecular Weight:	244.09
Molecular Formula:	C9H10BrNO2
Canonical SMILES:	CCOC(=O)CC1=NC=CC(=C1)Br
InChI:	InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-8-5-7(10)3-4-11-8/h3-5H,2,6H2,1H3
InChI Key:	UNQUMGSSWNEUIM-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.94970

Publication Number	Title	Priority Date
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[35153-16-3]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.98949
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	242.98949
Rotatable Bond Count:	4
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7