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Ferrocenecarbonyl Azide

CAT: 0572-TRC-A127380-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A127380-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1273-85-4
Synonyms
(Azidocarbonyl)ferrocene; Ferrocenecarbonyl azide; Iron, [(azidoformyl)cyclopentadienyl]cyclopentadienyl
Hazard Statement
No Data Available
Smiles
[N-]=[N+]=NC([C-]12[CH]3=[CH]4[CH]5=[CH]1[Fe+2]45326789[CH]%10=[CH]6[CH-]7[CH]8=[CH]%109)=O
Molecular Formula
C11H9FeN3O
Molecular Weight
255.05
InChI
InChI=1S/C6H4N3O.C5H5.Fe/c7-9-8-6(10)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q2*-1;+2
Shipping Conditions
Room Temperature

Chemical Information

Iron(2+) azido(cyclopenta-2,4-dien-1-ylidene)methanolate cyclopenta-2,4-dien-1-ide (1/1/1)
CAS Number1273-85-4
PubChem CID71312503
IUPAC Nameazido(cyclopenta-2,4-dien-1-ylidene)methanolate;cyclopenta-1,3-diene;iron(2+)
Molecular FormulaC11H9FeN3O
Molecular Weight255.05
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity266
SMILES
[CH-]1C=CC=C1.C1=CC(=C(N=[N+]=[N-])[O-])C=C1.[Fe+2]
InChI
InChI=1S/C6H5N3O.C5H5.Fe/c7-9-8-6(10)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,10H;1-5H;/q;-1;+2/p-1
InChIKey
VANNIYPCVFIOTD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Iron(2+) azido(cyclopenta-2,4-dien-1-ylidene)methanolate cyclopenta-2,4-dien-1-ide (1/1/1)
CAS: 1273-85-4
CID: 71312503
Formula: C11H9FeN3O
MW: 255.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.05
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass255.009497
Monoisotopic Mass255.009497
Topological Polar Surface Area37.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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