2-Bromo-5-ethoxy-4-hydroxybenzonitrile - CAS 832674-70-1

Catalog:	BB046939
Product Name:	2-Bromo-5-ethoxy-4-hydroxybenzonitrile
CAS:	832674-70-1
Synonyms:	2-bromo-5-ethoxy-4-hydroxybenzenecarbonitrile; 2-Bromo-5-Ethoxy-4-Hydroxy-Benzonitrile; Benzonitrile, 2-bromo-5-ethoxy-4-hydroxy-

Technical Data

Computed Properties

IUPAC Name:	2-bromo-5-ethoxy-4-hydroxybenzonitrile
Description:	2-Bromo-5-ethoxy-4-hydroxybenzonitrile (CAS# 832674-70-1 ) is a useful research chemical.
Molecular Weight:	242.07
Molecular Formula:	C9H8BrNO2
Canonical SMILES:	CCOC1=C(C=C(C(=C1)C#N)Br)O
InChI:	InChI=1S/C9H8BrNO2/c1-2-13-9-3-6(5-11)7(10)4-8(9)12/h3-4,12H,2H2,1H3
InChI Key:	RDPOLCZTDSSEHY-UHFFFAOYSA-N
Boiling Point:	363 °C at 760 mmHg
Melting Point:	127-129 °C
Purity:	≥ 97 %
Density:	1.62 g/cm³

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Related Functional Groups

Alcohols and Derivatives

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Halides

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[932890-93-2]
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Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]
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[5724-76-5]
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Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.97384
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3