(2S,3S)-3-azido-1,4-dichlorobutan-2-ol

• ChemBase ID: 161012
• Molecular Formular: C4H7Cl2N3O
• Molecular Mass: 184.02388
• Monoisotopic Mass: 182.99661722
• SMILES: [C@H]([C@@H](CCl)O)(CCl)N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=N[C@@H]([C@@H](CCl)O)CCl
• InChI: InChI=1S/C4H7Cl2N3O/c5-1-3(8-9-7)4(10)2-6/h3-4,10H,1-2H2/t3-,4-/m1/s1
• InChIKey: UBOQYZHIRLXDCP-QWWZWVQMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S)-3-azido-1,4-dichlorobutan-2-ol
• IUPAC Traditional name: (2S,3S)-3-azido-1,4-dichlorobutan-2-ol
• Synonyms: 2R-Azido-1,4-dichloro-3S-butanol

Database IDs

• PubChem SID: 162255147
• PubChem CID: 71313582

CALCULATED PROPERTIES

• Acid pKa: 13.530198
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.94613355
• LogD (pH = 7.4): 0.9461332
• Log P: 1.0601792
• Molar Refractivity: 38.8731 cm^3
• Polarizability: 14.90245 Å^3
• Polar Surface Area: 49.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Brown Oil