5-Bromo-7-fluoro-1-indanone - CAS 1242157-14-7

Catalog:	BB005833
Product Name:	5-Bromo-7-fluoro-1-indanone
CAS:	1242157-14-7
Synonyms:	5-bromo-7-fluoro-2,3-dihydroinden-1-one; 5-bromo-7-fluoro-2,3-dihydroinden-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-7-fluoro-2,3-dihydroinden-1-one
Description:	5-Bromo-7-fluoro-1-indanone (CAS# 1242157-14-7) is a reagent used in the synthesis of RN486, a pharmaceutical used in the treatment of Rhematoid Arthritis, via BTK inhibition.
Molecular Weight:	229.05
Molecular Formula:	C9H6BrFO
Canonical SMILES:	C1CC(=O)C2=C(C=C(C=C21)Br)F
InChI:	InChI=1S/C9H6BrFO/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2
InChI Key:	VMPKZIKGIGAVGK-UHFFFAOYSA-N
Appearance:	Solid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD17677343
LogP:	2.71710

Publication Number	Title	Priority Date
WO-2021156787-A1	Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors	20200204
WO-2020200284-A1	Preparation method for tricyclic compound and use of same in field of medicine	20190404
US-10851073-B2	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
US-2020299246-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
WO-2020186199-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.95861
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.95861
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5