(trichloromethoxy)benzene

• ChemBase ID: 293920
• Molecular Formular: C7H5Cl3O
• Molecular Mass: 211.473
• Monoisotopic Mass: 209.94059782
• SMILES: ClC(Cl)(Cl)Oc1ccccc1
• Canonical SMILES: ClC(Oc1ccccc1)(Cl)Cl
• InChI: InChI=1S/C7H5Cl3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
• InChIKey: CLYZNABPUKUSDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (trichloromethoxy)benzene
• IUPAC Traditional name: (trichloromethoxy)benzene
• Synonyms: (Trichloromethoxy)benzene

Database IDs

• CAS Number: 34888-05-6
• MDL Number: MFCD00618553
• PubChem SID: 180679451
• PubChem CID: 40773

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.267125
• LogD (pH = 7.4): 4.267125
• Log P: 4.267125
• Molar Refractivity: 29.1283 cm^3
• Polarizability: 18.493374 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%