Basic information
- CAS
1867-33-0- Standard SMILES
N#CC(Br)(C#N)Cc1ccccc1- InChIKey
KIQBKSZOKWWLHK-UHFFFAOYSA-N- Molecular formula
- C10H7BrN2
- Average molar mass
- 235.08 g/mol
- Monoisotopic mass
- 233.97926
Names & identifiers
- Preferred name
- Benzyl(bromo)propanedinitrile
- IUPAC
- 2-benzyl-2-bromopropanedinitrile
Names & synonyms
NSC508569Benzyl(bromo)propanedinitrile2-Benzyl-2-bromomalononitrileSCHEMBL11258822DTXSID20940131NSC-508569
Database identifiers
- CAS
1867-33-0- PubChem CID
- 350197
- DTXSID
DTXSID20940131
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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