carbonyl chloride fluoride

• ChemBase ID: 94889
• Molecular Formular: CClFO
• Molecular Mass: 82.4615032
• Monoisotopic Mass: 81.96217052
• SMILES: FC(=O)Cl
• Canonical SMILES: FC(=O)Cl
• InChI: InChI=1S/CClFO/c2-1(3)4
• InChIKey: OXVVNXMNLYYMOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: carbonyl chloride fluoride
• IUPAC Traditional name: carbonyl chloride fluoride
• Synonyms: Carbonyl chloride fluoride 97%

Database IDs

• CAS Number: 353-49-1
• MDL Number: MFCD00042118
• PubChem SID: 162081543
• PubChem CID: 9622

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0291214
• LogD (pH = 7.4): 1.0291214
• Log P: 1.0291214
• Molar Refractivity: 12.5802 cm^3
• Polarizability: 4.7088566 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -45°C

Safety Information

• Storage Warning: Corrosive/Flammable