Basic information
- CAS
62448-28-6- Standard SMILES
N#CC(Br)Cc1ccc(Br)cc1- InChIKey
RBQDSCAJIAFOTB-UHFFFAOYSA-N- Molecular formula
- C9H7Br2N
- Average molar mass
- 288.97 g/mol
- Monoisotopic mass
- 286.89452
Names & identifiers
- Preferred name
- I+/-,4-Dibromobenzenepropanenitrile
- IUPAC
- 2-bromo-3-(4-bromophenyl)propanenitrile
Names & synonyms
DTXSID401302057I+/-,4-Dibromobenzenepropanenitrile2-Bromo-3-(4-bromophenyl)propanenitrile62448-28-6
Database identifiers
- CAS
62448-28-6- PubChem CID
- 12375022
- DTXSID
DTXSID401302057
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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