azidobenzene

• ChemBase ID: 255178
• Molecular Formular: C6H5N3
• Molecular Mass: 119.124
• Monoisotopic Mass: 119.04834718
• SMILES: [N+](=[N-])=Nc1ccccc1
• Canonical SMILES: [N-]=[N+]=Nc1ccccc1
• InChI: InChI=1S/C6H5N3/c7-9-8-6-4-2-1-3-5-6/h1-5H
• InChIKey: CTRLRINCMYICJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azidobenzene
• IUPAC Traditional name: phenyl azide
• Synonyms: azidobenzene

Database IDs

• CAS Number: 622-37-7
• MDL Number: MFCD00040895
• PubChem SID: 164311088
• PubChem CID: 69319

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2795696
• LogD (pH = 7.4): 2.2795696
• Log P: 2.3936155
• Molar Refractivity: 36.3456 cm^3
• Polarizability: 12.556696 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.585

Product Information

• Purity: 95%