5,6-Dibromo-1H-indole-3-carboxylic acid

CAS	857809-64-4
Description	5,6-Dibromo-1H-indole-3-carboxylic acid is a marine derived natural products found in Smenospongia sp.
Molecular Weight	318.95
Canonical SMILES	C1=C2C(=CC(=C1Br)Br)NC=C2C(=O)O
InChI	InChI=1S/C9H5Br2NO2/c10-6-1-4-5(9(13)14)3-12-8(4)2-7(6)11/h1-3,12H,(H,13,14)
InChI Key	ZUKDDHPPAUVCRA-UHFFFAOYSA-N
Boiling Point	522.0±45.0 °C
Purity	95%+
Density	2.173±0.06 g/cm³
Complexity	249
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	318.86665
Heavy Atom Count	14
Monoisotopic Mass	316.8687
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	53.1 Ų