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Pentafluorophenyl 4-morpholin-4-ylbenzoate

CAT: 0024-sc-264000Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-264000Size:250 mg
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CAS Number
921938-51-4

Chemical Information

Pentafluorophenyl 4-morpholin-4-ylbenzoate
CAS Number921938-51-4
PubChem CID24229462
IUPAC Name(2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate
Molecular FormulaC17H12F5NO3
Molecular Weight373.27
XLogP3.6
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity469
SMILES
C1COCCN1C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C17H12F5NO3/c18-11-12(19)14(21)16(15(22)13(11)20)26-17(24)9-1-3-10(4-2-9)23-5-7-25-8-6-23/h1-4H,5-8H2
InChIKey
UJYQDNSLPIRXRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentafluorophenyl 4-morpholin-4-ylbenzoate
CAS: 921938-51-4
CID: 24229462
Formula: C17H12F5NO3
MW: 373.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.27
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass373.07373406
Monoisotopic Mass373.07373406
Topological Polar Surface Area38.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity469
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
PC1228-01Pentafluorophenyl 4-morpholin-4-ylbenzoate
PC7100-01Pentafluorophenyl 2-morpholin-4-ylbenzoate
PC4441Pentafluorophenyl 2- (morpholin-4-ylsulphonyl) benzoate
PC4395Pentafluorophenyl 2-morpholin-4-ylpyrimidine-5-carboxylate
PC8542Pentafluorophenyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate
PC10317-01Pentafluorophenyl 4-iodobenzenesulphonate
PC4428Pentafluorophenyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate
PC10315-01Pentafluorophenyl toluene-4-sulphonate
PC4442Pentafluorophenyl isoquinoline-4-carboxylate
PC8533-01Pentafluorophenyl 4- (tetrahydropyran-4-yloxy) benzoate

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