calcium 1λ4,2λ4,4λ4,5λ4-heptacyclo[2.2.0.01,3.02,5.02,6.03,5.04,6]hexaborane-3,6-diuide

• ChemBase ID: 126342
• Molecular Formular: B6Ca
• Molecular Mass: 104.944
• Monoisotopic Mass: 106.01842338
• SMILES: [B-]123[B]45[B]61[B-]14[B]25[B]361.[Ca+2]
• Canonical SMILES: [B]123[B]45[B-]62[B]21[B-]34[B]562.[Ca+2]
• InChI: InChI=1S/B6.Ca/c1-2-3(1)5(1)4(1,2)6(2,3)5;/q-2;+2
• InChIKey: PXRBHCKHCRNGSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium 1λ^4,2λ^4,4λ^4,5λ^4-heptacyclo[2.2.0.0^1,^3.0^2,^5.0^2,^6.0^3,^5.0^4,^6]hexaborane-3,6-diuide
• IUPAC Traditional name: calcium 1λ^4,2λ^4,4λ^4,5λ^4-heptacyclo[2.2.0.0^1,^3.0^2,^5.0^2,^6.0^3,^5.0^4,^6]hexaborane-3,6-diuide
• Synonyms: Calcium boride; Calcium hexaboride

Database IDs

• CAS Number: 12007-99-7
• EC Number: 234-525-3
• PubChem CID: 16212529
• Chemspider ID: 24765176
• Wikipedia Title: Calcium_hexaboride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 0.0 cm^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: black powder
• Melting Point: 2235°C /2770 K
• Density: 2.45 g/cm^3