bicyclo[2.2.1]hepta-2,5-diene; dichloroplatinum

• ChemBase ID: 295065
• Molecular Formular: C7H8Cl2Pt
• Molecular Mass: 358.12242
• Monoisotopic Mass: 356.96509662
• SMILES: C1C2C=CC1C=C2.Cl[Pt]Cl
• Canonical SMILES: C1=CC2CC1C=C2.Cl[Pt]Cl
• InChI: InChI=1S/C7H8.2ClH.Pt/c1-2-7-4-3-6(1)5-7;;;/h1-4,6-7H,5H2;2*1H;/q;;;+2/p-2
• InChIKey: AYGLNRVTDUMGOQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]hepta-2,5-diene; dichloroplatinum
• IUPAC Traditional name: norbornadiene; platinum(II) chloride
• Synonyms: Dichloro(norbornadiene)platinum(II); 二氯(降冰片二烯)铂(II)

Database IDs

• CAS Number: 12152-26-0
• EC Number: 235-271-6
• MDL Number: MFCD00213423
• PubChem SID: 180680596
• PubChem CID: 15579382

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6093123
• LogD (pH = 7.4): 1.6093123
• Log P: 1.6093123
• Molar Refractivity: 32.5332 cm^3
• Polarizability: 11.724419 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• TSCA Listed: 否