1-(benzyloxy)-3-chloro-2-fluorobenzene

• ChemBase ID: 301099
• Molecular Formular: C13H10ClFO
• Molecular Mass: 236.6693032
• Monoisotopic Mass: 236.04042084
• SMILES: c1ccc(cc1)COc1cccc(c1F)Cl
• Canonical SMILES: Fc1c(cccc1Cl)OCc1ccccc1
• InChI: InChI=1S/C13H10ClFO/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-8H,9H2
• InChIKey: SNZLTQDVJVQIBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-3-chloro-2-fluorobenzene
• IUPAC Traditional name: 1-(benzyloxy)-3-chloro-2-fluorobenzene
• Synonyms: 1-Benzyloxy-3-chloro-2-fluorobenzene

Database IDs

• MDL Number: MFCD22418792

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.286794
• LogD (pH = 7.4): 4.286794
• Log P: 4.286794
• Molar Refractivity: 62.155 cm^3
• Polarizability: 23.99136 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 96%