5-Bromo-2-hydroxy-4-methoxybenzaldehyde - CAS 57543-36-9

Catalog:	BB029743
Product Name:	5-Bromo-2-hydroxy-4-methoxybenzaldehyde
CAS:	57543-36-9
Synonyms:	5-bromo-2-hydroxy-4-methoxybenzaldehyde; 5-bromo-2-hydroxy-4-methoxybenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-2-hydroxy-4-methoxybenzaldehyde
Description:	5-Bromo-2-hydroxy-4-methoxybenzaldehyde (CAS# 57543-36-9) is a useful research chemical.
Molecular Weight:	231.04
Molecular Formula:	C8H7BrO3
Canonical SMILES:	COC1=C(C=C(C(=C1)O)C=O)Br
InChI:	InChI=1S/C8H7BrO3/c1-12-8-3-7(11)5(4-10)2-6(8)9/h2-4,11H,1H3
InChI Key:	OHSSWZLKWHLYFP-UHFFFAOYSA-N
LogP:	1.97580

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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MG-132

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Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.95786
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.95786
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2