5-Bromo-3,3-difluoroindolin-2-one - CAS 552332-19-1

Catalog:	BB028963
Product Name:	5-Bromo-3,3-difluoroindolin-2-one
CAS:	552332-19-1
Synonyms:	5-bromo-3,3-difluoro-1H-indol-2-one; 5-bromo-3,3-difluoro-1H-indol-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-3,3-difluoro-1H-indol-2-one
Description:	5-Bromo-3,3-difluoroindolin-2-one (CAS# 552332-19-1 ) is a useful research chemical.
Molecular Weight:	248.02
Molecular Formula:	C8H4BrF2NO
Canonical SMILES:	C1=CC2=C(C=C1Br)C(C(=O)N2)(F)F
InChI:	InChI=1S/C8H4BrF2NO/c9-4-1-2-6-5(3-4)8(10,11)7(13)12-6/h1-3H,(H,12,13)
InChI Key:	NQVFCXSWOMDLAY-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
CN-108299137-B	Selective fluorination method of isatin hydrazone compound	20180409
AU-2018211529-A1	N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxa zin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases	20170127
EP-3573960-A1	N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxa zin-7-yl)acetamide derivatives and related compounds as ror-gamma modulators for treating autoimmune diseases	20170127
US-2019365768-A1	N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxa zin-7-yl)acetamide derivatives and related compounds as ror-gamma modulators for treating autoimmune diseases	20170127
WO-2018138362-A1	N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2h-1,4-benzoxa zin-7-yl)acetamide derivatives and related compounds as ror-gamma modulators for treating autoimmune diseases	20170127

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Related Functional Groups

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N-Boc-indoline-7-carboxylic acid
[350683-40-8]
Ethyl indoline-6-carboxylate
[930790-08-2]
5-Phenoxyindoline

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.94443
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	246.94443
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2