3,5-dibromo-4-fluoroaniline

• ChemBase ID: 287745
• Molecular Formular: C6H4Br2FN
• Molecular Mass: 268.9090632
• Monoisotopic Mass: 266.86945135
• SMILES: Nc1cc(Br)c(F)c(Br)c1
• Canonical SMILES: Nc1cc(Br)c(c(c1)Br)F
• InChI: InChI=1S/C6H4Br2FN/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
• InChIKey: VJKSFHMDFWEBEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-4-fluoroaniline
• IUPAC Traditional name: 3,5-dibromo-4-fluoroaniline
• Synonyms: 3,5-Dibromo-4-fluoroaniline

Database IDs

• CAS Number: 1003709-35-0
• PubChem SID: 180673276
• PubChem CID: 45073620

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.824081
• LogD (pH = 7.4): 2.8245215
• Log P: 2.824527
• Molar Refractivity: 46.2204 cm^3
• Polarizability: 17.309864 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%