2-bromo-5-chloro-1,3-difluorobenzene

• ChemBase ID: 18428
• Molecular Formular: C6H2BrClF2
• Molecular Mass: 227.4338864
• Monoisotopic Mass: 225.89964618
• SMILES: c1(c(c(cc(c1)Cl)F)Br)F
• Canonical SMILES: Clc1cc(F)c(c(c1)F)Br
• InChI: InChI=1S/C6H2BrClF2/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
• InChIKey: OUMNGNRBHZGAMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chloro-1,3-difluorobenzene
• IUPAC Traditional name: 2-bromo-5-chloro-1,3-difluorobenzene
• Synonyms: 2-Bromo-5-chloro-1,3-difluorobenzene; 4-Bromo-1-chloro-3,5-difluorobenzene; 2-Bromo-5-chloro-1,3-difluorobenzene; 4-Chloro-2,6-difluorobromobenzene

Database IDs

• CAS Number: 883546-16-5
• MDL Number: MFCD06798002
• PubChem SID: 160981735
• PubChem CID: 2761407

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.631447
• LogD (pH = 7.4): 3.631447
• Log P: 3.631447
• Molar Refractivity: 38.9184 cm^3
• Polarizability: 14.902106 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%