2-chloro-N-(2,4,6-tribromophenyl)acetamide

• ChemBase ID: 251312
• Molecular Formular: C8H5Br3ClNO
• Molecular Mass: 406.2964
• Monoisotopic Mass: 402.76097747
• SMILES: c1(c(cc(cc1Br)Br)Br)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1c(Br)cc(cc1Br)Br
• InChI: InChI=1S/C8H5Br3ClNO/c9-4-1-5(10)8(6(11)2-4)13-7(14)3-12/h1-2H,3H2,(H,13,14)
• InChIKey: SDQSCWQZOOIZAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,4,6-tribromophenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2,4,6-tribromophenyl)acetamide
• Synonyms: 2-chloro-N-(2,4,6-tribromophenyl)acetamide

Database IDs

• CAS Number: 89892-46-6
• MDL Number: MFCD00464947
• PubChem SID: 164307222
• PubChem CID: 3726629

CALCULATED PROPERTIES

• Acid pKa: 11.632284
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.054558
• LogD (pH = 7.4): 4.0545335
• Log P: 4.054558
• Molar Refractivity: 68.5426 cm^3
• Polarizability: 26.270147 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.982

Product Information

• Purity: 95%