(1-Chloro-2-formylvinyl)ferrocene

• Catalog Number: ACM12085686
• Product Name: (1-Chloro-2-formylvinyl)ferrocene
• CAS: 12085-68-6
• Category: Heterocyclic Organic Compound
• Synonyms: (1-Chloro-2-formylvinyl)ferrocene;12085-68-6
• IUPAC Name: (E)-3-chloro-3-cyclopentylprop-2-enal;cyclopentane;iron
• Molecular Weight: 274.52
• Molecular Formula: C₁₃H₁₁ClFeO
• Canonical SMILES: [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C(=CC=O)Cl.[Fe]
• InChI: InChI=1S/C8H6ClO.C5H5.Fe/c9-8(5-6-10)7-3-1-2-4-7;1-2-4-5-3-1;/h1-6H;1-5H
• InChI Key: RQRKVVWRCJBKBO-UHFFFAOYSA-N
• Complexity: 157
• Covalently-Bonded Unit Count: 3
• Defined Bond Stereocenter Count: 1
• Exact Mass: 273.985g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 16
• Monoisotopic Mass: 273.985g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 17.1A^2