1-azido-2,4-dichlorobenzene

• ChemBase ID: 271521
• Molecular Formular: C6H3Cl2N3
• Molecular Mass: 188.01412
• Monoisotopic Mass: 186.97040247
• SMILES: [N+](=[N-])=Nc1c(cc(cc1)Cl)Cl
• Canonical SMILES: [N-]=[N+]=Nc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C6H3Cl2N3/c7-4-1-2-6(10-11-9)5(8)3-4/h1-3H
• InChIKey: PDVUXRITYOFJPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azido-2,4-dichlorobenzene
• IUPAC Traditional name: 1-azido-2,4-dichlorobenzene
• Synonyms: 1-azido-2,4-dichlorobenzene

Database IDs

• MDL Number: MFCD00211416
• PubChem SID: 164327431
• PubChem CID: 12363678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4876592
• LogD (pH = 7.4): 3.4876592
• Log P: 3.6017048
• Molar Refractivity: 45.9552 cm^3
• Polarizability: 16.42748 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52 - 54°C
• Hydrophobicity(logP): 4.313

Product Information

• Purity: 95%