2-Bromoanisole - CAS 578-57-4

Name: 2-Bromoanisole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029848
Product Name:	2-Bromoanisole
CAS:	578-57-4
Synonyms:	1-bromo-2-methoxybenzene

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Computed Properties

IUPAC Name:	1-bromo-2-methoxybenzene
Description:	2-Bromoanisole (CAS# 578-57-4) is a useful research chemical.
Molecular Weight:	187.03
Molecular Formula:	C7H7BrO
Canonical SMILES:	COC1=CC=CC=C1Br
InChI:	InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:	HTDQSWDEWGSAMN-UHFFFAOYSA-N
Boiling Point:	223 °C
Purity:	98 %
Density:	1.5 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00000064
LogP:	2.45770
Vapor Pressure:	0.28 [mmHg]

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Related Functional Groups

Oxygen Compounds

[5416-55-7]C10H20O5
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[2960-93-2]C22H18O2
2,2'-Dimethoxy-1,1'-binaphthalene
[37503-42-7]C10H14O3
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[861434-97-1]C13H11ClN2O3
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-

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Publication Number	Title	Priority Date
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PMID	Publication Date	Title	Journal
22690153	20120401	Marinopyrrole derivatives as potential antibiotic agents against methicillin-resistant Staphylococcus aureus (I)	Marine drugs
22412807	20120201	Synthetic strategies to terpene quinones/hydroquinones	Marine drugs
22685432	20120101	Triarylmethanes, a new class of cx50 inhibitors	Frontiers in pharmacology
22199983	20111201	(2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(4,4''-difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
21754410	20110501	(2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(4-fluoro-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.96803
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.96803
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9