Basic information
- CAS
101652-12-4- Standard SMILES
C=C(Br)CNC(=O)C(C)C- InChIKey
WRCCJXMMDYZLFS-UHFFFAOYSA-N- Molecular formula
- C7H12BrNO
- Average molar mass
- 206.08 g/mol
- Monoisotopic mass
- 205.01023
Names & identifiers
- Preferred name
- Isobutyramide, N-(2-bromoallyl)-
- IUPAC
- N-(2-bromoprop-2-enyl)-2-methylpropanamide
Names & synonyms
N-(2-Bromoallyl)isobutyramideISOBUTYRAMIDE, N-(2-BROMOALLYL)-101652-12-4DTXSID50144105RefChem:349571DTXCID9066596n-(2-bromoprop-2-en-1-yl)-2-methylpropanamideNSC172257NSC-172257
Database identifiers
- CAS
101652-12-4- PubChem CID
- 58686
- DTXSID
DTXSID50144105- Nikkaji
- J68.598D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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