4-bromo-5-fluoro-2-methylaniline

• ChemBase ID: 286896
• Molecular Formular: C7H7BrFN
• Molecular Mass: 204.0395832
• Monoisotopic Mass: 202.97458945
• SMILES: Nc1cc(F)c(Br)cc1C
• Canonical SMILES: Nc1cc(F)c(cc1C)Br
• InChI: InChI=1S/C7H7BrFN/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,10H2,1H3
• InChIKey: BRAZFTXACIZDRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-5-fluoro-2-methylaniline
• IUPAC Traditional name: 4-bromo-5-fluoro-2-methylaniline
• Synonyms: 4-Bromo-5-fluoro-2-methylaniline

Database IDs

• CAS Number: 52723-82-7
• MDL Number: MFCD04973753
• PubChem SID: 180672427
• PubChem CID: 7018044

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5687122
• LogD (pH = 7.4): 2.5691898
• Log P: 2.5691957
• Molar Refractivity: 43.6388 cm^3
• Polarizability: 15.851842 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%