1,2,3-trichloroprop-1-ene

• ChemBase ID: 285231
• Molecular Formular: C3H3Cl3
• Molecular Mass: 145.41492
• Monoisotopic Mass: 143.93003314
• SMILES: C(=C\Cl)(\Cl)/CCl
• Canonical SMILES: ClC/C(=C/Cl)/Cl
• InChI: InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2
• InChIKey: HIILBTHBHCLUER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-trichloroprop-1-ene
• IUPAC Traditional name: 1,2,3-trichloropropene
• Synonyms: 1,2,3-trichloroprop-1-ene

Database IDs

• MDL Number: MFCD00018931
• PubChem SID: 180670762
• PubChem CID: 5370144

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.121225
• LogD (pH = 7.4): 2.121225
• Log P: 2.121225
• Molar Refractivity: 29.9928 cm^3
• Polarizability: 11.678475 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.296

Product Information

• Purity: 95%