1H-Indole-3-carboxylic acid,6-bromo-ethyl ester

CAS	103858-55-5
Structure
Description	Ethyl 6-bromo-1H-indole-3-carboxylate is a marine derived natural products found in Pleroma menoui.
Synonyms	6-Bromoindole-3-carboxylic acid ethyl ester
IUPAC Name	Ethyl 6-bromo-1H-indole-3-carboxylate
Molecular Weight	268.11
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
Boiling Point	394.7±22.0 °C
Melting Point	134-137 °C
Purity	95%+
Density	1.554±0.06 g/cm³
Complexity	247
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	266.98949
Heavy Atom Count	15
Monoisotopic Mass	266.98949
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	42.1 Ų