Ethyl 3-Bromoindole-1-carboxylate - CAS 1375064-59-7

Catalog:	BB008599
Product Name:	Ethyl 3-Bromoindole-1-carboxylate
CAS:	1375064-59-7
Synonyms:	3-bromo-1-indolecarboxylic acid ethyl ester; ethyl 3-bromoindole-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-bromoindole-1-carboxylate
Description:	Ethyl 3-Bromoindole-1-carboxylate (CAS# 1375064-59-7 ) is a useful research chemical.
Molecular Weight:	268.11
Molecular Formula:	C11H10BrNO2
Canonical SMILES:	CCOC(=O)N1C=C(C2=CC=CC=C21)Br
InChI:	InChI=1S/C11H10BrNO2/c1-2-15-11(14)13-7-9(12)8-5-3-4-6-10(8)13/h3-7H,2H2,1H3
InChI Key:	POPVDZRGTLUBNG-UHFFFAOYSA-N
LogP:	4.98690

Publication Number	Title	Priority Date
US-2011263599-A1	7-nonsubstituted indole mcl-1 inhibitors	20070416
US-8853209-B2	1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives	20070416
EP-1670758-A1	Substituted indole acid derivatives and their use as pai-1 inhibitors	20030925
US-2005113438-A1	Substituted indoles	20030925
US-2007299125-A1	Substituted indoles	20030925

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Related Functional Groups

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Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.98949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	266.98949
Rotatable Bond Count:	2
Topological Polar Surface Area:	31.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3