Basic information
- CAS
94275-90-8- Standard SMILES
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O.O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O.[Ca+2]- InChIKey
UORLIJOZQJVHRZ-UHFFFAOYSA-L- Molecular formula
- C16H2CaCl8O8
- Average molar mass
- 645.9 g/mol
- Monoisotopic mass
- 641.688379
Names & identifiers
- Preferred name
- Calcium hydrogen 3,4,5,6-tetrachlorophthalate
- IUPAC
- calcium bis(2-carboxy-3,4,5,6-tetrachlorobenzoate)
- English name
- calcium hydrogen 3,4,5,6-tetrachlorophthalate
- Molecular formula
- C16H2CaCl8O8
- Molecular weight
- 645.88428
Names & synonyms
Calcium hydrogen 3,4,5,6-tetrachlorophthalate94275-90-8EINECS 304-478-4DTXSID90241349RefChem:122842DTXCID40163840304-478-4CALCIUM BIS(2-CARBOXY-3,4,5,6-TETRACHLOROBENZOATE)2-carboxy-3,4,5,6-tetrachlorobenzoate
Database identifiers
- CAS
94275-90-8- PubChem CID
- 57356751
- DTXSID
DTXSID90241349- EC Number
- 304-478-4
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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