7-Bromo-5-nitro-1H-indole - CAS 87240-07-1

Catalog:	BB038352
Product Name:	7-Bromo-5-nitro-1H-indole
CAS:	87240-07-1
Synonyms:	7-bromo-5-nitro-1H-indole; 7-bromo-5-nitro-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-5-nitro-1H-indole
Description:	7-Bromo-5-nitro-1H-indole (CAS# 87240-07-1) is a useful research chemical.
Molecular Weight:	241.04
Molecular Formula:	C8H5BrN2O2
Canonical SMILES:	C1=CNC2=C(C=C(C=C21)[N+](=O)[O-])Br
InChI:	InChI=1S/C8H5BrN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h1-4,10H
InChI Key:	XXJOZTUJVYCOMP-UHFFFAOYSA-N
Boiling Point:	402.3 °C at 760 mmHg
Density:	1.855 g/cm³
MDL:	MFCD04038858
LogP:	3.36180

Publication Number	Title	Priority Date
CN-109153643-A	Substituted indole MCL-1 inhibitors	20160304
EP-3423435-A1	Substituted indole mcl-1 inhibitors	20160304
US-2021283138-A1	Substituted indole mcl-1 inhibitors	20160304
EP-3087067-A1	4-(piperrazin-1-yl)-pyrrolidin-2-one compounds as monoacylglycerol lipase (magl) inhibitors	20131226
EP-3087067-B1	4-(piperrazin-1-yl)-pyrrolidin-2-one compounds as monoacylglycerol lipase (magl) inhibitors	20131226

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Related Functional Groups

Indoles

[2642-37-7]
Indoxyl sulfate potassium salt
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-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+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.95344
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.95344
Rotatable Bond Count:	0
Topological Polar Surface Area:	61.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6