2-bromo-5-fluoro-N-methylaniline hydrochloride

• ChemBase ID: 795904
• Molecular Formular: C7H8BrClFN
• Molecular Mass: 240.5005232
• Monoisotopic Mass: 238.95126716
• SMILES: Cl.N(c1c(ccc(c1)F)Br)C
• Canonical SMILES: CNc1cc(F)ccc1Br.Cl
• InChI: InChI=1S/C7H7BrFN.ClH/c1-10-7-4-5(9)2-3-6(7)8;/h2-4,10H,1H3;1H
• InChIKey: DRXJVNBPPQPCOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-fluoro-N-methylaniline hydrochloride
• IUPAC Traditional name: 2-bromo-5-fluoro-N-methylaniline hydrochloride
• Synonyms: 2-BroMo-5-fluoro-N-Methylaniline hydrochloride

Database IDs

• CAS Number: 1199773-27-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3561475
• LogD (pH = 7.4): 2.3574617
• Log P: 2.3574786
• Molar Refractivity: 44.091 cm^3
• Polarizability: 15.91681 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%