Ethyl 4,7-Dichloroindole-2-carboxylate - CAS 104115-70-0

Catalog:	BB001333
Product Name:	Ethyl 4,7-Dichloroindole-2-carboxylate
CAS:	104115-70-0
Synonyms:	4,7-dichloro-1H-indole-2-carboxylic acid ethyl ester; ethyl 4,7-dichloro-1H-indole-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4,7-dichloro-1H-indole-2-carboxylate
Description:	Ethyl 4,7-Dichloroindole-2-carboxylate (CAS# 104115-70-0) is a useful research chemical.
Molecular Weight:	258.10
Molecular Formula:	C11H9Cl2NO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(C=CC(=C2N1)Cl)Cl
InChI:	InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)9-5-6-7(12)3-4-8(13)10(6)14-9/h3-5,14H,2H2,1H3
InChI Key:	OQJPFGFLIIVSLF-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	3.65140

Publication Number	Title	Priority Date
EP-0791582-A1	Indole-2-carboxylic ester derivatives and agricultural and horticultural bacteriocides containing the same as the active ingredient	19950804
KR-100231956-B1	Indole-2-carboxylic ester derivatives and agricultural and horticultural bacteriocides containing the same as the active ingredient	19950804
US-5866594-A	Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component	19950804

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Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.0010339
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	257.0010339
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9