Calcium trichloroacetate
Basic information
- CAS
21348-16-3- Standard SMILES
O=C([O-])C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl.[Ca+2]- InChIKey
PAFYVDNYOJAWDX-UHFFFAOYSA-L- Molecular formula
- C4CaCl6O4
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 361.755365
Names & identifiers
- Preferred name
- Calcium trichloroacetate
- IUPAC
- calcium bis(2,2,2-trichloroacetate)
Names & synonyms
Calcium trichloroacetate21348-16-3TCA-calciumTCA-calcium [ISO]491SS42JXKAcetic acid, 2,2,2-trichloro-, calcium salt (2:1)UNII-491SS42JXKCalcium bis(trichloroacetate)SCHEMBL6553609DTXSID50175616PAFYVDNYOJAWDX-UHFFFAOYSA-LEINECS 244-339-4
Show more names
NS00084150ACETIC ACID, TRICHLORO-, CALCIUM SALTQ27259205
Database identifiers
- CAS
21348-16-3- PubChem CID
- 88874
- DTXSID
DTXSID50175616- UNII
- 491SS42JXK
- EC Number
- 244-339-4
- Nikkaji
- J22.499E
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 77.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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