Ethyl 5-Bromoindole-2-carboxylate - CAS 16732-70-0

Catalog:	BB012384
Product Name:	Ethyl 5-Bromoindole-2-carboxylate
CAS:	16732-70-0
Synonyms:	5-bromo-1H-indole-2-carboxylic acid ethyl ester; ethyl 5-bromo-1H-indole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 5-bromo-1H-indole-2-carboxylate
Description:	Ethyl 5-Bromoindole-2-carboxylate (CAS# 16732-70-0) is a useful research chemical.
Molecular Weight:	268.11
Molecular Formula:	C11H10BrNO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(N1)C=CC(=C2)Br
InChI:	InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChI Key:	LWRLKENDQISGEU-UHFFFAOYSA-N
Boiling Point:	394.7 °C at 760 mmHg
Density:	1.554 g/cm³
MDL:	MFCD00022701
LogP:	3.10710

Publication Number	Title	Priority Date
WO-2021155841-A1	Heterocyclic glp-1 agonists	20200207
WO-2021107125-A1	Compound having lysophosphatidic acid receptor agonistic activity and pharmaceutical use of said compound	20191129
WO-2021045469-A1	Heterocyclic compound and organic light-emitting device comprising same	20190903
CN-112300129-A	Heterocyclic compounds as BCR-ABL inhibitors	20190729
WO-2021018194-A1	Heterocyclic compounds as bcr-abl inhibitors	20190729

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9