Methyl 4-Bromoindole-3-acetate - CAS 89245-37-4

Catalog:	BB039387
Product Name:	Methyl 4-Bromoindole-3-acetate
CAS:	89245-37-4
Synonyms:	2-(4-bromo-1H-indol-3-yl)acetic acid methyl ester; methyl 2-(4-bromo-1H-indol-3-yl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(4-bromo-1H-indol-3-yl)acetate
Description:	Methyl 4-Bromoindole-3-acetate (CAS# 89245-37-4) is a useful research chemical.
Molecular Weight:	268.11
Molecular Formula:	C11H10BrNO2
Canonical SMILES:	COC(=O)CC1=CNC2=C1C(=CC=C2)Br
InChI:	InChI=1S/C11H10BrNO2/c1-15-10(14)5-7-6-13-9-4-2-3-8(12)11(7)9/h2-4,6,13H,5H2,1H3
InChI Key:	WCLDTMGLWGZIHG-UHFFFAOYSA-N
LogP:	2.64590

Publication Number	Title	Priority Date
EP-2794607-B1	Derivatives of aza adamantane and uses thereof	20111222
EP-2800748-B1	Cyclic amide derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase and uses thereof	20111222
US-2015141650-A1	Derivatives of aza adamantane and uses thereof	20111222
US-2015158860-A1	Cyclic amide derivatives as inhibitors of 11 - beta - hydroxysteroid dehydrogenase and uses thereof	20111222
US-9303016-B2	Derivatives of aza adamantane and uses thereof	20111222

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	266.98949
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5