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1-(6-Bromo-3-indolyl)-2,2,2-trifluoroethanone

1-(6-Bromo-3-indolyl)-2,2,2-trifluoroethanone - CAS 79878-02-7

Catalog:	BB036420
Product Name:	1-(6-Bromo-3-indolyl)-2,2,2-trifluoroethanone
CAS:	79878-02-7
Synonyms:	1-(6-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone; 1-(6-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(6-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone
Description:	1-(6-Bromo-3-indolyl)-2,2,2-trifluoroethanone (CAS# 79878-02-7 ) is a useful research chemical.
Molecular Weight:	292.05
Molecular Formula:	C10H5BrF3NO
Canonical SMILES:	C1=CC2=C(C=C1Br)NC=C2C(=O)C(F)(F)F
InChI:	InChI=1S/C10H5BrF3NO/c11-5-1-2-6-7(4-15-8(6)3-5)9(16)10(12,13)14/h1-4,15H
InChI Key:	NUILEHCMTCIUPS-UHFFFAOYSA-N
LogP:	3.67540

Publication Number	Title	Priority Date
EP-3632910-A1	Lactam compound as fxr receptor agonist	20170526
TW-201718611-A	Phosphonate compound for treating medical conditions	20150826
US-10000516-B2	Phosphonate compounds for treatment of medical disorders	20150826
US-2017057983-A1	Phosphonate Compounds for Treatment of Medical Disorders	20150826
WO-2017035357-A1	Phosphonate compounds for treatment of medical disorders	20150826

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Related Functional Groups

Carbonyl Compounds

[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
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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