2-Cyanoethyl 2-bromoacetate
Basic information
- CAS
89322-55-4- Standard SMILES
N#CCCOC(=O)CBr- InChIKey
ZWXPYAZRHKKWDL-UHFFFAOYSA-N- Molecular formula
- C5H6BrNO2
- Average molar mass
- 192.01 g/mol
- Monoisotopic mass
- 190.95819
Names & identifiers
- Preferred name
- 2-Cyanoethyl 2-bromoacetate
- IUPAC
- 2-cyanoethyl 2-bromoacetate
- English name
- 2-cyanoethyl 2-bromoacetate
- Molecular formula
- C5H6BrNO2
- Molecular weight
- 0
Names & synonyms
2-cyanoethyl 2-bromoacetate89322-55-4DTXSID70285145RefChem:259692DTXCID502362962-cyanoethyl bromoacetateNSC40639SCHEMBL28639403NSC-40639
Database identifiers
- CAS
89322-55-4- PubChem CID
- 237289
- DTXSID
DTXSID70285145
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 137
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Related reactions
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Compound notes
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