1-phenoxy-2-(trichloromethyl)benzene

• ChemBase ID: 111882
• Molecular Formular: C13H9Cl3O
• Molecular Mass: 287.56896
• Monoisotopic Mass: 285.97189795
• SMILES: ClC(Cl)(Cl)c1ccccc1Oc1ccccc1
• Canonical SMILES: ClC(c1ccccc1Oc1ccccc1)(Cl)Cl
• InChI: InChI=1S/C13H9Cl3O/c14-13(15,16)11-8-4-5-9-12(11)17-10-6-2-1-3-7-10/h1-9H
• InChIKey: CAISHQGIMXQWPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenoxy-2-(trichloromethyl)benzene
• IUPAC Traditional name: 1-phenoxy-2-(trichloromethyl)benzene
• Synonyms: TRICHLOROMETHYLDIPHENYL ETHER

Database IDs

• PubChem SID: 162106595
• PubChem CID: 20491484

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9714413
• LogD (pH = 7.4): 4.9714413
• Log P: 4.9714413
• Molar Refractivity: 72.7769 cm^3
• Polarizability: 28.011322 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221539

MP Biomedicals Rare Chemical collection