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Ethoxy (Pentafluoro) Cyclotriphosphazene

CAT: 0127-PC109231-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC109231-01Size:5 g
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CAS Number
33027-66-6
Synonyms
2-ethoxy-2,4,4,6,6-pentafluoro-1,3,5-triaza-2?5,4?5,6?5-triphosphacyclohexa-1,3,5-triene
Purity
Water≤100 ppm (by K.F.),99.9%
Smiles
CCOP1(=NP(=NP(=N1)(F)F)(F)F)F

Chemical Information

2-Ethoxy-2,4,4,6,6-pentafluoro-2lambda5,4lambda5,6lambda5-1,3,5,2,4,6-triazatriphosphorine
CAS Number33027-66-6
PubChem CID23419249
IUPAC Name2-ethoxy-2,4,4,6,6-pentafluoro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Molecular FormulaC2H5F5N3OP3
Molecular Weight274.99
XLogP3.7
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity361
SMILES
CCOP1(=NP(=NP(=N1)(F)F)(F)F)F
InChI
InChI=1S/C2H5F5N3OP3/c1-2-11-14(7)9-12(3,4)8-13(5,6)10-14/h2H2,1H3
InChIKey
CBTAIOOTRCAMBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-2,4,4,6,6-pentafluoro-2lambda5,4lambda5,6lambda5-1,3,5,2,4,6-triazatriphosphorine
CAS: 33027-66-6
CID: 23419249
Formula: C2H5F5N3OP3
MW: 274.99
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight274.99
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass274.95656359
Monoisotopic Mass274.95656359
Topological Polar Surface Area46.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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