5-Bromo-2-nitrophenol - CAS 27684-84-0

Catalog:	BB019637
Product Name:	5-Bromo-2-nitrophenol
CAS:	27684-84-0
Synonyms:	5-bromo-2-nitrophenol; 5-bromo-2-nitrophenol

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-nitrophenol
Description:	5-Bromo-2-nitrophenol (CAS# 27684-84-0) is a halonitrophenol with antifungal activity.
Molecular Weight:	218.00
Molecular Formula:	C6H4BrNO3
Canonical SMILES:	C1=CC(=C(C=C1Br)O)[N+](=O)[O-]
InChI:	InChI=1S/C6H4BrNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
InChI Key:	DTWHNSNSUBKGTC-UHFFFAOYSA-N
Boiling Point:	264.6 °C at 760 mmHg
Density:	1.881 g/cm³
MDL:	MFCD03095027
LogP:	2.58610

Publication Number	Title	Priority Date
KR-20210064526-A	Novel PPARÎ´ antagonist and Pharmaceutical composition for enhancing anti-cancer effect comprising the same	20191126
WO-2021055627-A1	Substituted n-heterocyclic carboxamides as acid ceramidase inhibitors and their use as medicaments	20190917
WO-2021055630-A1	Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders	20190917
WO-2021011722-A1	Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto	20190717
US-10766888-B1	HMOX1 inducers	20190412

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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:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.93746
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.93746
Rotatable Bond Count:	0
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5