1-azido-4-chloro-2-fluorobenzene

• ChemBase ID: 235060
• Molecular Formular: C6H3ClFN3
• Molecular Mass: 171.5595232
• Monoisotopic Mass: 170.99995301
• SMILES: [N+](=[N-])=Nc1c(cc(cc1)Cl)F
• Canonical SMILES: [N-]=[N+]=Nc1ccc(cc1F)Cl
• InChI: InChI=1S/C6H3ClFN3/c7-4-1-2-6(10-11-9)5(8)3-4/h1-3H
• InChIKey: HCVPCGIKUDEYSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11207343
• PubChem SID: 164290970
• PubChem CID: 43154611

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: 14.262183 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%