5-Bromo-3-(trifluoroacetyl)indole - CAS 32387-18-1

Catalog:	BB021274
Product Name:	5-Bromo-3-(trifluoroacetyl)indole
CAS:	32387-18-1
Synonyms:	1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone; 1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(5-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone
Description:	5-Bromo-3-(trifluoroacetyl)indole (CAS# 32387-18-1) is a useful research chemical.
Molecular Weight:	292.05
Molecular Formula:	C10H5BrF3NO
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=CN2)C(=O)C(F)(F)F
InChI:	InChI=1S/C10H5BrF3NO/c11-5-1-2-8-6(3-5)7(4-15-8)9(16)10(12,13)14/h1-4,15H
InChI Key:	DOBUKNJLDXQMFC-UHFFFAOYSA-N
LogP:	3.67540

Publication Number	Title	Priority Date
KR-20210076876-A	Novel indazole derivatives and use thereof	20191216
WO-2021125802-A1	Novel indazole derivative, and use thereof	20191216
EP-3490983-A1	Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors	20160730
JP-2019525941-A	Dimethoxyphenyl substituted indole compounds	20160730
KR-20190034264-A	Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors	20160730

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Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.95066
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	290.95066
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1