6-Bromoindole-3-acetonitrile

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Catalog Number
ACM152213611
Product Name
6-Bromoindole-3-acetonitrile
CAS
152213-61-1
Category
Heterocyclic Organic Compound
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.)
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
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