Catalog | OFC1306054 |
CAS | 1306-05-4 |
Category | Fluorinated Metal Phosphates |
Synonyms | Calcium fluorophosphate |
Purity | >99% |
MDL Number | MFCD00285511 |
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IUPAC Name | pentacalcium; fluoride; triphosphate |
InChI | InChI=1S/5Ca.FH.3H3O4P/c;;;;;;3*1-5(2,3)4/h;;;;;1H;3*(H3,1,2,3,4)/q5*+2;;;;/p-10 |
InChI Key | VSIIXMUUUJUKCM-UHFFFAOYSA-D |
Isomeric SMILES | [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[F-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2] |
Canonical SMILES | [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[F-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2] |
EC Number | 215-144-1 |
Molecular Formula | Ca5FO12P3 |
Molecular Weight | 504.3 |
Melting Point | 1644 °C |
Density | 3.1-3.2 g/cm3 |
Appearance | Off-white to brown target |
Solubility | Soluble in water |
Storage | Ambient temperatures |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 13 |
Rotatable Bond Count | 0 |
Exact Mass | 503.671619 |
Monoisotopic Mass | 503.671619 |
Topological Polar Surface Area | 259Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 36.8 |
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