1-Bromo-4-nitrosobenzene - CAS 3623-23-2

Catalog:	BB022914
Product Name:	1-Bromo-4-nitrosobenzene
CAS:	3623-23-2
Synonyms:	1-bromo-4-nitrosobenzene; 1-bromo-4-nitrosobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-4-nitrosobenzene
Description:	1-Bromo-4-nitrosobenzene (CAS# 3623-23-2) is a useful research chemical.
Molecular Weight:	186.01
Molecular Formula:	C6H4BrNO
Canonical SMILES:	C1=CC(=CC=C1N=O)Br
InChI:	InChI=1S/C6H4BrNO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChI Key:	KEBOFPCXLHRSEG-UHFFFAOYSA-N
Boiling Point:	236 °C at 760 mmHg
Density:	1.61 g/cm³
LogP:	2.84700

Publication Number	Title	Priority Date
KR-20210116078-A	Azobenzene-based Organic Dyes, Preparation Method Thereof, and Dye-sensitized Solar Cells Comprising the Same	20200317
WO-2020165011-A1	Self-diagnostic resins and related fiber composites	20190212
CN-113424049-A	Self-diagnostic resin and associated fibre composite material	20190212
KR-20210111836-A	Self-diagnostic resins and related fiber composites	20190212
CN-108424377-A	A kind of synthetic method of asymmetric oxidation azobenzene compound	20180419

PMID	Publication Date	Title	Journal
16209592	20051014	Solid-state reaction mechanisms in monomer-dimer interconversions of p-bromonitrosobenzene. Single-crystal-to-single-crystal photodissociation and formation of new non-van der Waals close contacts	The Journal of organic chemistry

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Complexity:	99.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.94763
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.94763
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3