2,4-dichloro-6-fluoroaniline

• ChemBase ID: 239140
• Molecular Formular: C6H4Cl2FN
• Molecular Mass: 180.0070632
• Monoisotopic Mass: 178.97048271
• SMILES: c1(c(cc(cc1Cl)Cl)F)N
• Canonical SMILES: Clc1cc(F)c(c(c1)Cl)N
• InChI: InChI=1S/C6H4Cl2FN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
• InChIKey: FJZWQRCPTNOPJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-fluoroaniline
• IUPAC Traditional name: 2,4-dichloro-6-fluoroaniline
• Synonyms: 2,4-dichloro-6-fluoroaniline

Database IDs

• MDL Number: MFCD20711026
• PubChem SID: 164295050
• PubChem CID: 20434559

CALCULATED PROPERTIES

• Acid pKa: 15.930052
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4951077
• LogD (pH = 7.4): 2.4951112
• Log P: 2.4951112
• Molar Refractivity: 40.5844 cm^3
• Polarizability: 15.036723 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.816

Product Information

• Purity: 95%