5-Chloro-4-methoxysalicylaldehyde - CAS 89938-56-7

Catalog:	BB039696
Product Name:	5-Chloro-4-methoxysalicylaldehyde
CAS:	89938-56-7
Synonyms:	5-chloro-2-hydroxy-4-methoxybenzaldehyde; 5-chloro-2-hydroxy-4-methoxybenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	5-chloro-2-hydroxy-4-methoxybenzaldehyde
Description:	5-Chloro-4-methoxysalicylaldehyde (CAS# 89938-56-7) is a useful research chemical.
Molecular Weight:	186.59
Molecular Formula:	C8H7ClO3
Canonical SMILES:	COC1=C(C=C(C(=C1)O)C=O)Cl
InChI:	InChI=1S/C8H7ClO3/c1-12-8-3-7(11)5(4-10)2-6(8)9/h2-4,11H,1H3
InChI Key:	ZZMHVBPSRKMWLT-UHFFFAOYSA-N
LogP:	1.86670

Publication Number	Title	Priority Date
CN-112028870-A	Compound with benzyloxy aromatic ring structure, preparation method and application thereof	20190604
WO-2020244518-A1	Compound with benzyloxy aromatic ring structure, preparation method and use thereof	20190604
CA-2938799-A1	Microbiocidally active benzoxaboroles	20140217
EP-3107921-A1	Microbiocidally active benzoxaboroles	20140217
US-10040806-B2	Microbiocidally active benzoxaboroles	20140217

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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:	186.0083718
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.0083718
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2