4-(azidomethyl)-1,2-dichlorobenzene

• ChemBase ID: 277814
• Molecular Formular: C7H5Cl2N3
• Molecular Mass: 202.0407
• Monoisotopic Mass: 200.98605254
• SMILES: [N+](=[N-])=NCc1cc(c(cc1)Cl)Cl
• Canonical SMILES: [N-]=[N+]=NCc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C7H5Cl2N3/c8-6-2-1-5(3-7(6)9)4-11-12-10/h1-3H,4H2
• InChIKey: TVZXAVGWNACMQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(azidomethyl)-1,2-dichlorobenzene
• IUPAC Traditional name: 4-(azidomethyl)-1,2-dichlorobenzene
• Synonyms: 4-(azidomethyl)-1,2-dichlorobenzene

Database IDs

• MDL Number: MFCD11637155
• PubChem SID: 164333724
• PubChem CID: 15065218

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.120284
• LogD (pH = 7.4): 3.120284
• Log P: 3.23433
• Molar Refractivity: 48.776 cm^3
• Polarizability: 18.275717 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.57

Product Information

• Purity: 95%