5-Bromo-7-nitroindole - CAS 165669-16-9

Catalog:	BB012203
Product Name:	5-Bromo-7-nitroindole
CAS:	165669-16-9
Synonyms:	5-bromo-7-nitro-1H-indole; 5-bromo-7-nitro-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-7-nitro-1H-indole
Description:	5-Bromo-7-nitroindole (CAS# 165669-16-9) is a useful research chemical.
Molecular Weight:	241.04
Molecular Formula:	C8H5BrN2O2
Canonical SMILES:	C1=CNC2=C(C=C(C=C21)Br)[N+](=O)[O-]
InChI:	InChI=1S/C8H5BrN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h1-4,10H
InChI Key:	WERRDKWLHFDNTO-UHFFFAOYSA-N
Boiling Point:	402.3 °C at 760 mmHg
Density:	1.855 g/cm³
Appearance:	Yellow powder
MDL:	MFCD00619260
LogP:	3.36180

Publication Number	Title	Priority Date
WO-2020230136-A1	Acss2 inhibitors and methods of use thereof	20190514
CN-113316585-A	3' protected nucleotides	20181219
KR-20190120786-A	1,4,6-trisubstituted-2-alkyl-1H-benzo [d] imidazole derivatives as dihydroorotate oxygenase inhibitors	20170224
TW-201805267-A	Compounds and pharmaceutical composition associated with ubiquitination-proteasome system	20160802
TW-I684581-B	Compounds and pharmaceutical composition associated with ubiquitination-proteasome system	20160802

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, 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:	3.3