Ethyl 4-(2-Bromoethyl)benzoate - CAS 74003-31-9

Catalog:	BB034973
Product Name:	Ethyl 4-(2-Bromoethyl)benzoate
CAS:	74003-31-9
Synonyms:	4-(2-bromoethyl)benzoic acid ethyl ester; ethyl 4-(2-bromoethyl)benzoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4-(2-bromoethyl)benzoate
Description:	Ethyl 4-(2-Bromoethyl)benzoate (CAS# 74003-31-9 ) is a useful research chemical.
Molecular Weight:	257.12
Molecular Formula:	C11H13BrO2
Canonical SMILES:	CCOC(=O)C1=CC=C(C=C1)CCBr
InChI:	InChI=1S/C11H13BrO2/c1-2-14-11(13)10-5-3-9(4-6-10)7-8-12/h3-6H,2,7-8H2,1H3
InChI Key:	QTHYTANYIIPXOI-UHFFFAOYSA-N
LogP:	2.80070

Publication Number	Title	Priority Date
US-2013281397-A1	Treatment of diseases by epigenetic regulation	20120419
WO-2013156869-A1	Treatment of diseases by epigenetic regulation	20120419
AU-2008323026-A1	Drug active in neuropathic pain	20071112
AU-2008323026-B2	Drug active in neuropathic pain	20071112
CA-2702874-A1	Indazole drug active in neuropathic pain	20071112

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.00989
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.00989
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7