1,3-dichloro-2,5-difluorobenzene

• ChemBase ID: 94247
• Molecular Formular: C6H2Cl2F2
• Molecular Mass: 182.9828864
• Monoisotopic Mass: 181.95016186
• SMILES: Fc1cc(c(c(c1)Cl)F)Cl
• Canonical SMILES: Fc1cc(Cl)c(c(c1)Cl)F
• InChI: InChI=1S/C6H2Cl2F2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
• InChIKey: XPBKEVCFKWTLHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dichloro-2,5-difluorobenzene
• IUPAC Traditional name: 1,3-dichloro-2,5-difluorobenzene
• Synonyms: 1,3-Dichloro-2,5-difluorobenzene

Database IDs

• CAS Number: 2367-80-8
• MDL Number: MFCD06658263
• PubChem SID: 162080902
• PubChem CID: 137560

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.466739
• LogD (pH = 7.4): 3.466739
• Log P: 3.466739
• Molar Refractivity: 36.1004 cm^3
• Polarizability: 13.779077 Å^3

PROPERTIES

Product Information

• Purity: 98%