3-Bromo-2-methylacrylonitrile
Basic information
- Standard SMILES
C/C(C#N)=C\Br- InChIKey
VAVDVRKEPBGVMB-DUXPYHPUSA-N- Molecular formula
- C4H4BrN
- Average molar mass
- 145.99 g/mol
- Monoisotopic mass
- 144.95271
Names & identifiers
- Preferred name
- 3-Bromo-2-methylacrylonitrile
- IUPAC
- (E)-3-bromo-2-methylprop-2-enenitrile
Names & synonyms
3-BROMO-2-METHYLACRYLONITRILE28976-77-4(E)-3-Bromo-2-methylacrylonitrile(2E)-3-bromo-2-methylprop-2-enenitrile(E)-3-bromo-2-methylprop-2-enenitrileSCHEMBL250000DTXSID601360039AKOS015916375EN300-7463692
Database identifiers
- PubChem CID
- 6370992
- DTXSID
DTXSID601360039
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 106
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Related reactions
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Compound notes
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