4-Bromo-2-(trifluoromethyl)indole - CAS 955978-75-3

Catalog:	BB041768
Product Name:	4-Bromo-2-(trifluoromethyl)indole
CAS:	955978-75-3
Synonyms:	4-bromo-2-(trifluoromethyl)-1H-indole; 4-bromo-2-(trifluoromethyl)-1H-indole

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2-(trifluoromethyl)-1H-indole
Description:	4-Bromo-2-(trifluoromethyl)indole (CAS# 955978-75-3) is a useful research chemical.
Molecular Weight:	264.04
Molecular Formula:	C9H5BrF3N
Canonical SMILES:	C1=CC2=C(C=C(N2)C(F)(F)F)C(=C1)Br
InChI:	InChI=1S/C9H5BrF3N/c10-6-2-1-3-7-5(6)4-8(14-7)9(11,12)13/h1-4,14H
InChI Key:	BALLXZBCVCULJE-UHFFFAOYSA-N
LogP:	3.94920

Publication Number	Title	Priority Date
EP-3530651-A1	Indole and benzimidazole derivatives as dual 5-ht2a and 5-ht6 receptor antagonists	20180221
WO-2019162306-A1	Indole and benzimidazole derivatives as dual 5-ht2a and 5-ht6 receptor antagonists	20180221
CN-112041300-A	Indole and benzimidazole derivatives as dual 5-HT2A and5-HT 6receptor antagonists	20180221
KR-20200123416-A	Indole and benzimidazole derivatives as dual 5-HT2A and 5-HT6 receptor antagonists	20180221
US-2020377496-A1	INDOLE AND BENZIMIDAZOLE DERIVATIVES AS DUAL 5-HT2A and 5-HT6 RECEPTOR ANTAGONISTS	20180221

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Related Functional Groups

Indoles

[20776-45-8]
5-Benzyloxytryptamine
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate
[2124-55-2]
Indole-4-carboxylic acid
[15861-24-2]
Indole-5-carbonitrile
[1670-82-2]
Indole-6-carboxylic acid
[39203-20-8]
Methyl indole-1-carboxylate

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Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.95575
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	262.95575
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7