2-Bromo-5-nitrofuran - CAS 823-73-4

Catalog:	BB036805
Product Name:	2-Bromo-5-nitrofuran
CAS:	823-73-4
Synonyms:	2-bromo-5-nitrofuran; 2-bromo-5-nitrofuran

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-nitrofuran
Description:	2-Bromo-5-nitrofuran (CAS# 823-73-4) is a useful research chemical.
Molecular Weight:	191.97
Molecular Formula:	C4H2BrNO3
Canonical SMILES:	C1=C(OC(=C1)Br)[N+](=O)[O-]
InChI:	InChI=1S/C4H2BrNO3/c5-3-1-2-4(9-3)6(7)8/h1-2H
InChI Key:	QGTDMAKRJHGXOF-UHFFFAOYSA-N
Boiling Point:	118 °C / 15 mmHg
Density:	1.914 g/cm³
MDL:	MFCD00142879
LogP:	2.47350

Publication Number	Title	Priority Date
WO-2018219281-A1	4-pyrimidinediamine small molecular organic compounds and derivatives thereof and use thereof	20170531
AU-2008282032-A1	Novel heterocyclic compounds as mGlu5 antagonists	20070802
AU-2008282032-B2	Novel heterocyclic compounds as mGlu5 antagonists	20070802
CA-2694359-A1	Novel heterocyclic compounds as mglu5 antagonists	20070802
CN-101821256-A	Novel heterocyclic compounds as mGlu5 antagonists	20070802

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.92181
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.92181
Rotatable Bond Count:	0
Topological Polar Surface Area:	59 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2