chromium(3+) ion 2-methylprop-2-enoic acid trichloride

• ChemBase ID: 109116
• Molecular Formular: C4H6Cl3CrO2
• Molecular Mass: 244.44434
• Monoisotopic Mass: 242.88384497
• SMILES: [Cl-].[Cl-].[Cl-].[Cr+3].CC(=C)C(=O)O
• Canonical SMILES: CC(=C)C(=O)O.[Cl-].[Cl-].[Cl-].[Cr+3]
• InChI: InChI=1S/C4H6O2.3ClH.Cr/c1-3(2)4(5)6;;;;/h1H2,2H3,(H,5,6);3*1H;/q;;;;+3/p-3
• InChIKey: QNKNFIVNQDJCHZ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: chromium(3+) ion 2-methylprop-2-enoic acid trichloride
• IUPAC Traditional name: chromium(3+) methacrylic acid trichloride
• Synonyms: METHACRYLATO CHROMIC CHLORIDE, 20% SOLUTION

Database IDs

• PubChem SID: 162106240
• PubChem CID: 18008698

CALCULATED PROPERTIES

• Acid pKa: 4.850526
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19176336
• LogD (pH = 7.4): -1.5789503
• Log P: 0.9284978
• Molar Refractivity: 21.6485 cm^3
• Polarizability: 8.399095 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209905

MP Biomedicals Rare Chemical collection