1,3,5-trichloro-2-fluorobenzene

• ChemBase ID: 291986
• Molecular Formular: C6H2Cl3F
• Molecular Mass: 199.4374832
• Monoisotopic Mass: 197.92061132
• SMILES: Fc1c(Cl)cc(Cl)cc1Cl
• Canonical SMILES: Clc1cc(Cl)c(c(c1)Cl)F
• InChI: InChI=1S/C6H2Cl3F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
• InChIKey: NCPNJBWUNXRYGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-trichloro-2-fluorobenzene
• IUPAC Traditional name: 1,3,5-trichloro-2-fluorobenzene
• Synonyms: 1,3,5-Trichloro-2-fluorobenzene

Database IDs

• CAS Number: 36556-33-9
• MDL Number: MFCD00060654
• PubChem SID: 180677517
• PubChem CID: 142093

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9280818
• LogD (pH = 7.4): 3.9280818
• Log P: 3.9280818
• Molar Refractivity: 40.6888 cm^3
• Polarizability: 15.8919935 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%