5-Bromo-7-chloroindole - CAS 180623-89-6

Catalog:	BB013725
Product Name:	5-Bromo-7-chloroindole
CAS:	180623-89-6
Synonyms:	5-bromo-7-chloro-1H-indole; 5-bromo-7-chloro-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-7-chloro-1H-indole
Description:	5-Bromo-7-chloroindole (CAS# 180623-89-6) is a useful research chemical.
Molecular Weight:	230.49
Molecular Formula:	C8H5BrClN
Canonical SMILES:	C1=CNC2=C(C=C(C=C21)Br)Cl
InChI:	InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChI Key:	NBSOYBSYOOJMPE-UHFFFAOYSA-N
Boiling Point:	348.15 °C at 760 mmHg
Density:	1.773 g/cm³
MDL:	MFCD03094978
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
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
KR-20210069669-A	Novel compounds as NADPH oxidase inhibitors	20180928

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Related Functional Groups

Indoles

[1884330-89-5]
1-Methyl-1H-indole-5-D
[2642-37-7]
Indoxyl sulfate potassium salt
[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4