6-Bromoindole-3-acetonitrile

• CAS: 152213-61-1
• Catalog Number: ACM152213611
• Category: Other Products
• Molecular Weight: 235.08
• Molecular Formula: C₁₀H₇BrN₂
• 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
• 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.)
• Density: 1.629±0.06 g/cm³
• Complexity: 232
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 233.97926
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• 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