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Walphos SL-W003-2

CAT: 0024-sc-237414Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-237414Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
849925-19-5

Chemical Information

(S)-1-[(S)-1-(Dicyclohexylphosphino)ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene
CAS Number849925-19-5
PubChem CID91844909
Molecular FormulaC42H48FeP2
Molecular Weight670.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity672
SMILES
CC([C]1[CH][CH][CH][C]1C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5CCCCC5)C6CCCCC6.[CH]1[CH][CH][CH][CH]1.[Fe]
InChI
InChI=1S/C37H43P2.C5H5.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;/h4-5,10-16,21-31H,2-3,6-9,17-20H2,1H3;1-5H;
InChIKey
OBVCATYDMKRFLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-[(S)-1-(Dicyclohexylphosphino)ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene
CAS: 849925-19-5
CID: 91844909
Formula: C42H48FeP2
MW: 670.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight670.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count8
Exact Mass670.258061
Monoisotopic Mass670.258061
Topological Polar Surface Area0 Ų
Heavy Atom Count45
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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