Calcium Fluorophosphate Dihydrate

• Catalog: OFC37809191
• CAS: 37809-19-1
• Category: Fluorinated Metal Phosphates
• Synonyms: Calcium phosphorofluoridate hydrate (1:1:2); Calcium monofluorophosphate dihydrate
• Purity: >99%
• MDL Number: MFCD00151007

• IUPAC Name: calcium; fluoro-dioxido-oxo-λ5-phosphane; dihydrate
• InChI: InChI=1S/Ca.FH2O3P.2H2O/c;1-5(2,3)4;;/h;(H2,2,3,4);2*1H2/q+2;;;/p-2
• InChI Key: NBTASZQYZYVJAU-UHFFFAOYSA-L
• Isomeric SMILES: O.O.[O-]P(=O)([O-])F.[Ca+2]
• Canonical SMILES: [Ca+2].[O-]P([O-])(F)=O.O.O
• EC Number: 232-187-1

• Molecular Formula: CaFH4O5P
• Molecular Weight: 174.08
• Appearance: Powder

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 173.940629
• Monoisotopic Mass: 173.940629
• Topological Polar Surface Area: 65.2Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 49.8