2,3,4-trichlorobut-1-ene

• ChemBase ID: 108051
• Molecular Formular: C4H5Cl3
• Molecular Mass: 159.4415
• Monoisotopic Mass: 157.9456832
• SMILES: ClCC(Cl)C(=C)Cl
• Canonical SMILES: ClCC(C(=C)Cl)Cl
• InChI: InChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2
• InChIKey: WZUZDBPJFHQVJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4-trichlorobut-1-ene
• IUPAC Traditional name: 2,3,4-trichloro-1-butene
• Synonyms: DL-2,3,4-TRICHLORO-1-BUTENE

Database IDs

• CAS Number: 142888-86-6
• PubChem SID: 162093562
• PubChem CID: 17073

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5282845
• LogD (pH = 7.4): 2.5282845
• Log P: 2.5282845
• Molar Refractivity: 34.2047 cm^3
• Polarizability: 13.470608 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205890

MP Biomedicals Rare Chemical collection