1-chloro-2-(chloromethoxy)ethane

• ChemBase ID: 294255
• Molecular Formular: C3H6Cl2O
• Molecular Mass: 128.98514
• Monoisotopic Mass: 127.97957017
• SMILES: ClCOCCCl
• Canonical SMILES: ClCOCCCl
• InChI: InChI=1S/C3H6Cl2O/c4-1-2-6-3-5/h1-3H2
• InChIKey: LUTWEKBTDWRTSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-(chloromethoxy)ethane
• IUPAC Traditional name: 1-chloro-2-(chloromethoxy)ethane
• Synonyms: 1-Chloro-2-(chloromethoxy)ethane

Database IDs

• CAS Number: 1462-33-5
• MDL Number: MFCD00191406
• PubChem SID: 180679786
• PubChem CID: 10290810

CALCULATED PROPERTIES

• Log P: 1.4027963
• Molar Refractivity: 26.9952 cm^3
• Polarizability: 10.756786 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4027963
• LogD (pH = 7.4): 1.4027963

PROPERTIES

Product Information

• Purity: 95+%