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2,6-Difluoro-3-(propylsulfonamido)benzoic Acid

2,6-Difluoro-3-(propylsulfonamido)benzoic Acid - CAS 1103234-56-5

Catalog:	BB002613
Product Name:	2,6-Difluoro-3-(propylsulfonamido)benzoic Acid
CAS:	1103234-56-5
Synonyms:	2,6-difluoro-3-(propylsulfonylamino)benzoic acid; 2,6-difluoro-3-(propylsulfonylamino)benzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2,6-difluoro-3-(propylsulfonylamino)benzoic acid
Description:	2,6-Difluoro-3-(propylsulfonamido)benzoic Acid (CAS# 1103234-56-5) is a useful research chemical.
Molecular Weight:	279.26
Molecular Formula:	C10H11F2NO4S
Canonical SMILES:	CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)O)F
InChI:	InChI=1S/C10H11F2NO4S/c1-2-5-18(16,17)13-7-4-3-6(11)8(9(7)12)10(14)15/h3-4,13H,2,5H2,1H3,(H,14,15)
InChI Key:	RTAWCKGXCGSFJI-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD18157658
LogP:	2.96850

Publication Number	Title	Priority Date
US-2020407344-A1	Compounds for the treatment of braf-associated diseases and disorders	20190628
WO-2020261156-A1	Quinazolin-4-one derivatives useful for the treatment of braf-associated diseases and disorders	20190628
WO-2019243315-A1	Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	20180621
EP-3810139-A1	Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	20180621
US-2021261545-A1	Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	20180621

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Complexity:	395
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.03768533
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	279.03768533
Rotatable Bond Count:	5
Topological Polar Surface Area:	91.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5