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Fluocinonide

CAT: 0926-FF08245-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FF08245-02Size:500 mg
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CAS Number
356-12-7
MDL Number
MFCD00079302
Smiles
CC (=O) OCC (=O) [C@@]12[C@@H] (C[C@@H]3[C@@]1 (C[C@@H] ([C@]4 ([C@H]3C[C@@H] (C5=CC (=O) C=C[C@@]54C) F) F) O) C) OC (O2) (C) C
Molecular Formula
C26H32F2O7
Molecular Weight
494.54 g/mol
Controlled
No

Chemical Information

Fluocinonide

Fluocinonide is an organic molecular entity.

CAS Number356-12-7
PubChem CID9642
IUPAC Name[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate
Molecular FormulaC26H32F2O7
Molecular Weight494.5
XLogP3.2
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity1070
SMILES
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C
InChI
InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1
InChIKey
WJOHZNCJWYWUJD-IUGZLZTKSA-N
Chemical Structure
2D Structure
2D structure of Fluocinonide
CAS: 356-12-7
CID: 9642
Formula: C26H32F2O7
MW: 494.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass494.21160968
Monoisotopic Mass494.21160968
Topological Polar Surface Area99.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
S2608-10mM/1mLFluocinonide
MBS385422-01Fluocinonide(Vanos)
HY-B0485R-01Fluocinonide (Standard)
HY-B0485SFluocinonide-d6

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