6-Bromo-4-fluoro-2,3-dihydroinden-1-one - CAS 881189-74-8

Catalog:	BB038739
Product Name:	6-Bromo-4-fluoro-2,3-dihydroinden-1-one
CAS:	881189-74-8
Synonyms:	6-bromo-4-fluoro-2,3-dihydroinden-1-one; 6-bromo-4-fluoro-2,3-dihydroinden-1-one

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-4-fluoro-2,3-dihydroinden-1-one
Description:	6-Bromo-4-fluoro-2,3-dihydroinden-1-one (CAS# 881189-74-8) is a useful research chemical.
Molecular Weight:	229.05
Molecular Formula:	C9H6BrFO
Canonical SMILES:	C1CC(=O)C2=CC(=CC(=C21)F)Br
InChI:	InChI=1S/C9H6BrFO/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4H,1-2H2
InChI Key:	FVPXVDTWEBFLLE-UHFFFAOYSA-N
MDL:	MFCD14654077
LogP:	2.71710

Publication Number	Title	Priority Date
WO-2021053617-A1	Mll1 inhibitors and anti-cancer agents	20190920
WO-2020210828-A1	(aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions	20190412
WO-2020127685-A1	Amino-acid anilides as small molecule modulators of il-17	20181219
TW-202039473-A	Small molecule modulators of il-17	20181219
CN-113164448-A	Amino acid anilines as small molecule modulators of IL-17	20181219

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

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