Ethyl 3-(4-Bromo-2-fluorophenyl)propanoate - CAS 1057674-14-2

Catalog:	BB001713
Product Name:	Ethyl 3-(4-Bromo-2-fluorophenyl)propanoate
CAS:	1057674-14-2
Synonyms:	3-(4-bromo-2-fluorophenyl)propanoic acid ethyl ester; ethyl 3-(4-bromo-2-fluorophenyl)propanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-(4-bromo-2-fluorophenyl)propanoate
Description:	Ethyl 3-(4-Bromo-2-fluorophenyl)propanoate (CAS# 1057674-14-2 ) is a useful research chemical.
Molecular Weight:	275.11
Molecular Formula:	C11H12BrFO2
Canonical SMILES:	CCOC(=O)CCC1=C(C=C(C=C1)Br)F
InChI:	InChI=1S/C11H12BrFO2/c1-2-15-11(14)6-4-8-3-5-9(12)7-10(8)13/h3,5,7H,2,4,6H2,1H3
InChI Key:	NXDOERUCHSGXEC-UHFFFAOYSA-N
LogP:	3.08390

Publication Number	Title	Priority Date
WO-2020210828-A1	(aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions	20190412
TW-202045491-A	Azole derivatives	20190220
WO-2020171146-A1	Azole derivative	20190220
WO-2019055808-A1	HORMONE RECEPTOR MODULATORS FOR THE TREATMENT OF MUTAGENIC AND FIBROTIC METABOLIC CONDITIONS AND DISORDERS	20170914
EP-3681881-A1	Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders	20170914

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Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	274.00047
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	274.00047
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2