4-Bromo-2,3-difluorophenylacetic Acid - CAS 887586-48-3

Catalog:	BB039188
Product Name:	4-Bromo-2,3-difluorophenylacetic Acid
CAS:	887586-48-3
Synonyms:	2-(4-bromo-2,3-difluorophenyl)acetic acid; 2-(4-bromo-2,3-difluorophenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromo-2,3-difluorophenyl)acetic acid
Description:	4-Bromo-2,3-difluorophenylacetic Acid (CAS# 887586-48-3 ) is a useful research chemical.
Molecular Weight:	251.02
Molecular Formula:	C8H5BrF2O2
Canonical SMILES:	C1=CC(=C(C(=C1CC(=O)O)F)F)Br
InChI:	InChI=1S/C8H5BrF2O2/c9-5-2-1-4(3-6(12)13)7(10)8(5)11/h1-2H,3H2,(H,12,13)
InChI Key:	OIGMFWLUUCQCFZ-UHFFFAOYSA-N
LogP:	2.35440

Publication Number	Title	Priority Date
AU-2014229233-A1	Pyridine derivatives as rearranged during transfection (RET) kinase inhibitors	20130315
AU-2014229233-B2	Pyridine derivatives as rearranged during transfection (RET) kinase inhibitors	20130315
CA-2905627-A1	Pyridine derivatives as rearranged during transfection (ret) kinase inhibitors	20130315
CN-105051027-A	Pyridine derivatives as rearranged during transfection (RET) kinase inhibitors	20130315
DK-2970191-T3	Pyridine derivatives right (rearranged during transfection) -kinase inhibitors	20130315

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Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.9441
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	249.9441
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3