2-(2-aminoethoxy)-5-bromo-1,3-dichlorobenzene

• ChemBase ID: 247475
• Molecular Formular: C8H8BrCl2NO
• Molecular Mass: 284.96522
• Monoisotopic Mass: 282.91663124
• SMILES: c1(c(cc(cc1Cl)Br)Cl)OCCN
• Canonical SMILES: NCCOc1c(Cl)cc(cc1Cl)Br
• InChI: InChI=1S/C8H8BrCl2NO/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4H,1-2,12H2
• InChIKey: USOXOAGZHSJAGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)-5-bromo-1,3-dichlorobenzene
• IUPAC Traditional name: 2-(2-aminoethoxy)-5-bromo-1,3-dichlorobenzene
• Synonyms: 2-(2-aminoethoxy)-5-bromo-1,3-dichlorobenzene

Database IDs

• MDL Number: MFCD09906786
• PubChem SID: 164303385
• PubChem CID: 22688781

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.033845823
• LogD (pH = 7.4): 1.1395397
• Log P: 2.9954326
• Molar Refractivity: 57.7034 cm^3
• Polarizability: 22.975035 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.297

Product Information

• Purity: 95%