6-Bromo-1H-indole-3-acetic acid methyl ester

CAS	152213-63-3
Description	6-Bromo-1H-indole-3-acetic acid methyl ester is a marine derived natural products found in Pseudosuberites hyalinus.
Synonyms	Methyl 6-Bromoindole-3-acetate
IUPAC Name	Methyl 2-(6-bromo-1H-indol-3-yl)acetate
Molecular Weight	268.11
Canonical SMILES	COC(=O)CC1=CNC2=C1C=CC(=C2)Br
InChI	InChI=1S/C11H10BrNO2/c1-15-11(14)4-7-6-13-10-5-8(12)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3
InChI Key	BMFSVEXJEHZDHD-UHFFFAOYSA-N
Boiling Point	394.1±27.0 °C (lit.)
Purity	95%+
Density	1.569±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