Basic information
- CAS
101205-14-5- Standard SMILES
O=C(O)C(Cl)=C(C(=O)O)C(=O)C(Cl)(Cl)Cl- InChIKey
MTBQBBRPJMLHJU-UHFFFAOYSA-N- Molecular formula
- C6H2Cl4O5
- Average molar mass
- 295.9 g/mol
- Monoisotopic mass
- 293.865634
Names & identifiers
- Preferred name
- 2-Chloro-3-(trichloroacetyl)-2-butenedioic acid
- IUPAC
- 2-chloro-3-(2,2,2-trichloroacetyl)but-2-enedioic acid
Names & synonyms
DTXSID4010233122-Chloro-3-(trichloroacetyl)-2-butenedioic acid101205-14-5
Database identifiers
- CAS
101205-14-5- PubChem CID
- 85524243
- DTXSID
DTXSID401023312
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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