Methyl 3-Chloro-5-formylbenzoate - CAS 879542-48-0

Catalog:	BB038699
Product Name:	Methyl 3-Chloro-5-formylbenzoate
CAS:	879542-48-0
Synonyms:	3-chloro-5-formylbenzoic acid methyl ester; methyl 3-chloro-5-formylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-chloro-5-formylbenzoate
Description:	Methyl 3-Chloro-5-formylbenzoate (CAS# 879542-48-0) is a useful research chemical.
Molecular Weight:	198.60
Molecular Formula:	C9H7ClO3
Canonical SMILES:	COC(=O)C1=CC(=CC(=C1)C=O)Cl
InChI:	InChI=1S/C9H7ClO3/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-5H,1H3
InChI Key:	JUCIYUKIAAFMJA-UHFFFAOYSA-N
Appearance:	Solid
LogP:	1.93910

Publication Number	Title	Priority Date
WO-2021105091-A1	Novel heteroaryl-triazole compounds as pesticides	20191125
WO-2017093157-A1	Piperidine, pyrrolidine and 2-oxo-1,3-oxazinane derivatives as inhibitors of bacterial efflux-pumps for the treatment of microbial infections	20151130
WO-2017042099-A1	Efflux-pump inhibitors and therapeutic uses thereof	20150909
AU-2007224505-A1	Spiroindolinone derivatives	20060313
AU-2007224505-B2	Spiroindolinone derivatives	20060313

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Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0083718
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.0083718
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3