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CAT: 0926-NFC84150-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-NFC84150-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1388841-50-6
Smiles
C1=C (C=C (C=C1C (F) (F) F) C (F) (F) F) C2=NN (C=N2) C=CC3=NN=CO3
Molecular Formula
C14H7F6N5O
Molecular Weight
375.23 g/mol
Controlled
No

Chemical Information

(Z)-2-(2-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)vinyl)-1,3,4-oxadiazole
CAS Number1388841-50-6
PubChem CID57519758
IUPAC Name2-[(Z)-2-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole
Molecular FormulaC14H7F6N5O
Molecular Weight375.23
XLogP3.4
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity491
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)/C=C\C3=NN=CO3
InChI
InChI=1S/C14H7F6N5O/c15-13(16,17)9-3-8(4-10(5-9)14(18,19)20)12-21-6-25(24-12)2-1-11-23-22-7-26-11/h1-7H/b2-1-
InChIKey
LDFXTRYMMZGKIC-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of (Z)-2-(2-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)vinyl)-1,3,4-oxadiazole
CAS: 1388841-50-6
CID: 57519758
Formula: C14H7F6N5O
MW: 375.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.23
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass375.05547884
Monoisotopic Mass375.05547884
Topological Polar Surface Area69.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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