6-Bromoindole-3-acetonitrile

CAS	152213-61-1
Description	6-Bromoindole-3-acetonitrile is a marine derived natural products found in Pseudosuberites hyalinus.
Synonyms	6-Bromo-1H-indole-3-acetonitrile
IUPAC Name	2-(6-Bromo-1H-indol-3-yl)acetonitrile
Molecular Weight	235.08
Molecular Formula	C10H7BrN2
Canonical SMILES	C1=CC2=C(C=C1Br)NC=C2CC#N
InChI	InChI=1S/C10H7BrN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3H2
InChI Key	MSIDSSLYDVKLRA-UHFFFAOYSA-N
Boiling Point	427.5±30.0 °C (lit.)
Purity	95%+
Density	1.629±0.06 g/cm³
Complexity	232
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	233.97926
Heavy Atom Count	13
Monoisotopic Mass	233.97926
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	39.6 Ų