(6-Bromo-1-oxohexyl)ferrocene

• CAS: 57640-76-3
• Catalog Number: ACM57640763-1
• Category: Other Products
• Molecular Weight: 363.07
• Molecular Formula: C₁₆H₁₉BrFeO
• Synonyms: (6-Bromo-1-oxohexyl)ferrocene, 57640-76-3
• IUPAC Name: 6-bromo-1-cyclopenta-2,4-dien-1-ylidenehexan-1-olate;cyclopenta-1,3-diene;iron(2+)
• Canonical SMILES: [CH-]1C=CC=C1.C1=CC(=C(CCCCCBr)[O-])C=C1.[Fe+2]
• InChI: InChI=1S/C11H15BrO.C5H5.Fe/c12-9-5-1-2-8-11(13)10-6-3-4-7-10;1-2-4-5-3-1;/h3-4,6-7,13H,1-2,5,8-9H2;1-5H;/q;-1;+2/p-1
• InChI Key: FNTAMLHOTKQXBR-UHFFFAOYSA-M
• Melting Point: 35.1-37.3° C
• Storage: room temperature
• Complexity: 236
• Covalently-Bonded Unit Count: 3
• Exact Mass: 361.99700
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 19
• MDL Number: MFCD09842733
• Monoisotopic Mass: 361.997g/mol
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 23.1A^2