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+)
Molecular Weight
363.07
Molecular Formula
C₁₆H₁₉BrFeO
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
Purity
96%
Storage
room temperature
Complexity
236
Covalently-Bonded Unit Count
3
Empirical Formula
C16H19BrFeO
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
