2-bromo-4-fluoro-N,N-dimethylbenzamide

• ChemBase ID: 264534
• Molecular Formular: C9H9BrFNO
• Molecular Mass: 246.0762632
• Monoisotopic Mass: 244.98515413
• SMILES: c1(C(=O)N(C)C)c(cc(cc1)F)Br
• Canonical SMILES: Fc1ccc(c(c1)Br)C(=O)N(C)C
• InChI: InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
• InChIKey: CGUIJOTZYHWBSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-fluoro-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-bromo-4-fluoro-N,N-dimethylbenzamide
• Synonyms: 2-bromo-4-fluoro-N,N-dimethylbenzamide

Database IDs

• MDL Number: MFCD09927497
• PubChem SID: 164320444
• PubChem CID: 24689405

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1826928
• LogD (pH = 7.4): 2.1826928
• Log P: 2.1826928
• Molar Refractivity: 52.769 cm^3
• Polarizability: 19.502798 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.715

Product Information

• Purity: 95%