Ethyl 4,5-Difluoroindole-2-carboxylate - CAS 194870-66-1

Catalog:	BB015086
Product Name:	Ethyl 4,5-Difluoroindole-2-carboxylate
CAS:	194870-66-1
Synonyms:	4,5-difluoro-1H-indole-2-carboxylic acid ethyl ester; ethyl 4,5-difluoro-1H-indole-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4,5-difluoro-1H-indole-2-carboxylate
Description:	Ethyl 4,5-Difluoroindole-2-carboxylate (CAS# 194870-66-1) is a useful research chemical.
Molecular Weight:	225.19
Molecular Formula:	C11H9F2NO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(N1)C=CC(=C2F)F
InChI:	InChI=1S/C11H9F2NO2/c1-2-16-11(15)9-5-6-8(14-9)4-3-7(12)10(6)13/h3-5,14H,2H2,1H3
InChI Key:	MKPIGDPELRNWBB-UHFFFAOYSA-N
LogP:	2.92710

Publication Number	Title	Priority Date
WO-2020244462-A1	Indole derivatives and pharmaceutical use thereof	20190603
JP-2008088136-A	Pharmaceuticals containing substituted indole compounds	20061005
WO-2006109633-A1	Substituted indole compound	20050407
AU-2002254616-B2	Phenylindoles for the treatment of HIV	20010411
CA-2444501-C	Phenylindoles for the treatment of hiv	20010411

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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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:	225.06013485
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.06013485
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8