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164297-25-0 | Ferrocene, [(S)-(4-methylphenyl)sulfinyl]-
CAS No: 164297-25-0 Catalog No: AG001URE MDL No:
Product Description
Catalog Number:
AG001URE
Chemical Name:
Ferrocene, [(S)-(4-methylphenyl)sulfinyl]-
CAS Number:
164297-25-0
Molecular Formula:
C17H16FeOS
Molecular Weight:
324.2183
IUPAC Name:
cyclopenta-1,3-diene;1-[(R)-cyclopenta-1,3-dien-1-ylsulfinyl]-4-methylbenzene;iron(2+)
InChI:
InChI=1S/C12H11OS.C5H5.Fe/c1-10-6-8-12(9-7-10)14(13)11-4-2-3-5-11;1-2-4-5-3-1;/h2-9H,1H3;1-5H;/q2*-1;+2/t14-;;/m1../s1
InChI Key:
QAAXXGKGRWQHLR-FMOMHUKBSA-N
SMILES:
[CH-]1C=CC=C1.Cc1ccc(cc1)[S@@](=O)[C-]1C=CC=C1.[Fe+2]
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
324.027g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.219g/mol
Monoisotopic Mass:
324.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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