Ethyl 6-Bromoindole-2-carboxylate - CAS 103858-53-3

Catalog:	BB001241
Product Name:	Ethyl 6-Bromoindole-2-carboxylate
CAS:	103858-53-3
Synonyms:	6-bromo-1H-indole-2-carboxylic acid ethyl ester; ethyl 6-bromo-1H-indole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 6-bromo-1H-indole-2-carboxylate
Description:	Ethyl 6-Bromoindole-2-carboxylate (CAS# 103858-53-3) is a useful research chemical.
Molecular Weight:	268.11
Molecular Formula:	C11H10BrNO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(N1)C=C(C=C2)Br
InChI:	InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3
InChI Key:	FVMZWWFKRMBNSZ-UHFFFAOYSA-N
Boiling Point:	394.7 °C at 760 mmHg
Density:	1.554 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD03094942
LogP:	3.10710

Publication Number	Title	Priority Date
WO-2021163254-A1	Heterocyclic pad4 inhibitors	20200212
WO-2021045469-A1	Heterocyclic compound and organic light-emitting device comprising same	20190903
WO-2020072580-A1	Matriptase 2 inhibitors and uses thereof	20181002
CN-112996529-A	Matriptase 2 inhibitor and application thereof	20181002
EP-3860636-A1	Matriptase 2 inhibitors and uses thereof	20181002

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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