5-bromo-2-chloro-4-fluoroaniline

• ChemBase ID: 235709
• Molecular Formular: C6H4BrClFN
• Molecular Mass: 224.4580632
• Monoisotopic Mass: 222.91996703
• SMILES: c1c(c(cc(c1Br)F)Cl)N
• Canonical SMILES: Clc1cc(F)c(cc1N)Br
• InChI: InChI=1S/C6H4BrClFN/c7-3-1-6(10)4(8)2-5(3)9/h1-2H,10H2
• InChIKey: JOPDUFGUFFLQSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-chloro-4-fluoroaniline
• IUPAC Traditional name: 5-bromo-2-chloro-4-fluoroaniline
• Synonyms: 5-bromo-2-chloro-4-fluoroaniline

Database IDs

• MDL Number: MFCD21603962
• PubChem SID: 164291619
• PubChem CID: 70700325

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.65975
• LogD (pH = 7.4): 2.6598182
• Log P: 2.6598191
• Molar Refractivity: 43.4024 cm^3
• Polarizability: 16.13957 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71 - 73°C
• Hydrophobicity(logP): 3.046

Product Information

• Purity: 95%