4-azido-2-chloro-1-fluorobenzene

• ChemBase ID: 263148
• Molecular Formular: C6H3ClFN3
• Molecular Mass: 171.5595232
• Monoisotopic Mass: 170.99995301
• SMILES: [N+](=[N-])=Nc1cc(c(cc1)F)Cl
• Canonical SMILES: [N-]=[N+]=Nc1ccc(c(c1)Cl)F
• InChI: InChI=1S/C6H3ClFN3/c7-5-3-4(10-11-9)1-2-6(5)8/h1-3H
• InChIKey: CPTIGEURUINHDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-azido-2-chloro-1-fluorobenzene
• IUPAC Traditional name: 4-azido-2-chloro-1-fluorobenzene
• Synonyms: 4-azido-2-chloro-1-fluorobenzene

Database IDs

• MDL Number: MFCD00211406
• PubChem SID: 164319058
• PubChem CID: 43154618

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0263164
• LogD (pH = 7.4): 3.0263164
• Log P: 3.140362
• Molar Refractivity: 41.3668 cm^3
• Polarizability: 14.286949 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.743

Product Information

• Purity: 95%