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

Safety and Hazards

Patents

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
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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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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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