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

CAS	868656-97-7
Structure
Description	1H-Indole-3-carboxylic acid,6-bromo-,methyl ester is a marine derived natural products found in Smenospongia sp.
Synonyms	6-Bromo-1H-indole-3-carboxylic acid methyl ester
IUPAC Name	Methyl 6-bromo-1H-indole-3-carboxylate
Molecular Weight	254.08
Canonical SMILES	COC(=O)C1=CNC2=C1C=CC(=C2)Br
InChI	InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3
InChI Key	SKZJYJMYLUQJPG-UHFFFAOYSA-N
Boiling Point	386.2±22.0 °C
Purity	95%+
Density	1.629±0.06 g/cm³
Complexity	234
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	252.97384
Heavy Atom Count	14
Monoisotopic Mass	252.97384
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