Ethyl 6-Bromoindole-3-carboxylate - CAS 103858-55-5

Catalog:	BB001243
Product Name:	Ethyl 6-Bromoindole-3-carboxylate
CAS:	103858-55-5
Synonyms:	6-bromo-1H-indole-3-carboxylic acid ethyl ester; ethyl 6-bromo-1H-indole-3-carboxylate

Technical Data

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Literatures

Computed Properties

IUPAC Name:	ethyl 6-bromo-1H-indole-3-carboxylate
Description:	Ethyl 6-Bromoindole-3-carboxylate (CAS# 103858-55-5) is a useful research chemical.
Molecular Weight:	268.11
Molecular Formula:	C11H10BrNO2
Canonical SMILES:	CCOC(=O)C1=CNC2=C1C=CC(=C2)Br
InChI:	InChI=1S/C11H10BrNO2/c1-2-15-11(14)9-6-13-10-5-7(12)3-4-8(9)10/h3-6,13H,2H2,1H3
InChI Key:	GBTDSENHTMLWAI-UHFFFAOYSA-N
Appearance:	Solid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	3.10710

Publication Number	Title	Priority Date
WO-2014075618-A1	Heterocyclic ring-containing 5-hydroxy indole derivative and use thereof	20121115
CN-101070319-A	Crystal state of anti-hepatitis-B-virus compound and its preparing method and use	20070529
CN-101070319-B	Crystal state of anti-hepatitis-B-virus compound and its preparing method and use	20070529
PT-2029547-E	Fxr agonists	20060524
US-2003220340-A1	Aryl and heteroaryl compounds as antibacterial and antifungal agents	20020516

PMID	Publication Date	Title	Journal
19140074	20090101	Iotrochotamides I and II: new ceramides from the Indonesian sponge Iotrochota purpurea	Natural product research

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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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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:	3.7