Methyl 3,3-dichloro-2-cyanoprop-2-enoate
Basic information
- CAS
13063-44-0- Standard SMILES
COC(=O)C(C#N)=C(Cl)Cl- InChIKey
JKNNKTNZANCBTQ-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2NO2
- Average molar mass
- 179.99 g/mol
- Monoisotopic mass
- 178.9540837
Names & identifiers
- Preferred name
- Methyl 3,3-dichloro-2-cyanoprop-2-enoate
- IUPAC
- methyl 3,3-dichloro-2-cyanoprop-2-enoate
Names & synonyms
methyl 3,3-dichloro-2-cyanoprop-2-enoate13063-44-0DTXSID20319964RefChem:354502DTXCID10271087NSC352735NSC-352735
Database identifiers
- CAS
13063-44-0- PubChem CID
- 336869
- DTXSID
DTXSID20319964
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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