(6-Bromo-1-oxohexyl)ferrocene

CAS
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CAS
57640-76-3
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Purity
96%
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Catalog Number

ACM57640763-1

Product Name

(6-Bromo-1-oxohexyl)ferrocene

Structure

CAS

57640-76-3

Category

Heterocyclic Organic Compound

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

Storage

room temperature

Complexity

236

Covalently-Bonded Unit Count

Exact Mass

361.99700

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

MDL Number

MFCD09842733

Monoisotopic Mass

361.997g/mol

Rotatable Bond Count

Topological Polar Surface Area

23.1A^2

MSDS

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COA

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Spec Sheet

Download Spec Sheet

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