4-(2,4-dichlorophenoxy)aniline

• ChemBase ID: 123492
• Molecular Formular: C12H9Cl2NO
• Molecular Mass: 254.11196
• Monoisotopic Mass: 253.00611927
• SMILES: c1(c(cc(cc1)Cl)Cl)Oc1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C12H9Cl2NO/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7H,15H2
• InChIKey: RWDOREOERSVIRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dichlorophenoxy)aniline
• IUPAC Traditional name: 4-(2,4-dichlorophenoxy)aniline
• Synonyms: 4-(2,4-dichlorophenoxy)aniline

Database IDs

• PubChem SID: 162217845
• PubChem CID: 26940

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8417065
• LogD (pH = 7.4): 3.8525562
• Log P: 3.8526964
• Molar Refractivity: 66.6088 cm^3
• Polarizability: 25.555471 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true