5-Bromo-6-chloroindole - CAS 122531-09-3

Catalog:	BB005418
Product Name:	5-Bromo-6-chloroindole
CAS:	122531-09-3
Synonyms:	5-bromo-6-chloro-1H-indole; 5-bromo-6-chloro-1H-indole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-6-chloro-1H-indole
Description:	5-Bromo-6-chloro-1H-indole was used in the study to prepare indole derivatives as intermediates for agrochemicals and drugs.
Molecular Weight:	230.49
Molecular Formula:	C8H5BrClN
Canonical SMILES:	C1=CNC2=CC(=C(C=C21)Br)Cl
InChI:	InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChI Key:	SMZUROGBNBCCPT-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD11848566
LogP:	3.58380

Publication Number	Title	Priority Date
WO-2021204823-A1	(1 h-indol-5-yl)acrylamide derivatives as inhibitors of tead proteins and the hippo-yap1/taz signaling cascade for the treatment of cancer	20200407
CN-112572984-A	Liquid sealing box and liquid feeding method	20190927
EP-3628669-A1	Novel compounds as nadph oxidase inhibitors	20180928
WO-2020065048-A1	Novel compounds as nadph oxidase inhibitors	20180928
EP-3856736-A1	Novel compounds as nadph oxidase inhibitors	20180928

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Related Functional Groups

Indoles

[89908-23-6]
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[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate

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Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.92939
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.92939
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4