3-(4-Bromo-2-fluorophenyl)propanoic Acid - CAS 134057-95-7

Catalog:	BB007872
Product Name:	3-(4-Bromo-2-fluorophenyl)propanoic Acid
CAS:	134057-95-7
Synonyms:	3-(4-bromo-2-fluorophenyl)propanoic acid; 3-(4-bromo-2-fluorophenyl)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(4-bromo-2-fluorophenyl)propanoic acid
Description:	3-(4-Bromo-2-fluorophenyl)propanoic Acid (CAS# 134057-95-7) is a useful research chemical.
Molecular Weight:	247.06
Molecular Formula:	C9H8BrFO2
Canonical SMILES:	C1=CC(=C(C=C1Br)F)CCC(=O)O
InChI:	InChI=1S/C9H8BrFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChI Key:	FLAFQUSRGQNQFJ-UHFFFAOYSA-N
MDL:	MFCD06823987
LogP:	2.60540

Publication Number	Title	Priority Date
WO-2020210828-A1	(aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions	20190412
WO-2019055808-A1	HORMONE RECEPTOR MODULATORS FOR THE TREATMENT OF MUTAGENIC AND FIBROTIC METABOLIC CONDITIONS AND DISORDERS	20170914
CN-111655680-A	Hormone receptor modulators for the treatment of metabolic mutations and fibrotic conditions and disorders	20170914
EP-3681881-A1	Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders	20170914
JP-2020534275-A	Hormone receptor regulators for the treatment of metabolism-related mutagenic and fibrotic symptoms and disorders	20170914

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Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.96917
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	245.96917
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5