Ethyl 6-Bromoindole-3-acetate - CAS 919295-79-7

Catalog:	BB040386
Product Name:	Ethyl 6-Bromoindole-3-acetate
CAS:	919295-79-7
Synonyms:	2-(6-bromo-1H-indol-3-yl)acetic acid ethyl ester; ethyl 2-(6-bromo-1H-indol-3-yl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(6-bromo-1H-indol-3-yl)acetate
Description:	Ethyl 6-Bromoindole-3-acetate (CAS# 919295-79-7) is a useful research chemical.
Molecular Weight:	282.13
Molecular Formula:	C12H12BrNO2
Canonical SMILES:	CCOC(=O)CC1=CNC2=C1C=CC(=C2)Br
InChI:	InChI=1S/C12H12BrNO2/c1-2-16-12(15)5-8-7-14-11-6-9(13)3-4-10(8)11/h3-4,6-7,14H,2,5H2,1H3
InChI Key:	DBEHTVLBNORKMZ-UHFFFAOYSA-N
LogP:	3.03600

Publication Number	Title	Priority Date
US-2020207726-A1	Indolinyl sulfonamide and related compounds for use as agonists of rory and the treatment of disease	20170310
WO-2018165501-A1	INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORÎ³ AND THE TREATMENT OF DISEASE	20170310
AU-2008216382-A1	Novel inhibitors hepatitis C virus replication	20070212
CA-2676906-A1	Novel inhibitors hepatitis c virus replication	20070212
JP-2010518125-A	Novel inhibitor of hepatitis C virus replication	20070212

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
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[104496-91-5]
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[17432-37-0]
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[4313-03-5]
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[151585-93-2]
2-Amino-6-fluorobenzaldehyde

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.00514
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	281.00514
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8