2-chlorobut-2-ene

• ChemBase ID: 107457
• Molecular Formular: C4H7Cl
• Molecular Mass: 90.55138
• Monoisotopic Mass: 90.0236279
• SMILES: C/C=C(/C)\Cl
• Canonical SMILES: C/C=C(\Cl)/C
• InChI: InChI=1S/C4H7Cl/c1-3-4(2)5/h3H,1-2H3
• InChIKey: DSDHFHLZEFQSFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chlorobut-2-ene
• IUPAC Traditional name: 2-butene, 2-chloro-
• Synonyms: 2-CHLORO-2-BUTENE(cis-trans)

Database IDs

• CAS Number: 4461-41-0
• EC Number: 224-719-6
• PubChem SID: 162093808
• PubChem CID: 5463022

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8829808
• LogD (pH = 7.4): 1.8829808
• Log P: 1.8829808
• Molar Refractivity: 26.27 cm^3
• Polarizability: 9.679811 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: EM4265000

DETAILS

MP Biomedicals - 05203811

MP Biomedicals Rare Chemical collection