1-(azidomethyl)-2-chlorobenzene

• ChemBase ID: 268497
• Molecular Formular: C7H6ClN3
• Molecular Mass: 167.59564
• Monoisotopic Mass: 167.02502489
• SMILES: [N+](=[N-])=NCc1c(Cl)cccc1
• Canonical SMILES: [N-]=[N+]=NCc1ccccc1Cl
• InChI: InChI=1S/C7H6ClN3/c8-7-4-2-1-3-6(7)5-10-11-9/h1-4H,5H2
• InChIKey: BOSNISRGGXSMHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(azidomethyl)-2-chlorobenzene
• IUPAC Traditional name: 1-(azidomethyl)-2-chlorobenzene
• Synonyms: 1-(azidomethyl)-2-chlorobenzene

Database IDs

• MDL Number: MFCD11637163
• PubChem SID: 164324407
• PubChem CID: 12194602

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5162394
• LogD (pH = 7.4): 2.5162394
• Log P: 2.6302853
• Molar Refractivity: 43.9712 cm^3
• Polarizability: 16.315609 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.977

Product Information

• Purity: 95%