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Hydroxy-bifenthrin

CAT: 0926-WFA72617-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-WFA72617-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
146726-17-2
Smiles
CC1=C (C=CC=C1C2=CC=CC=C2) COC (=O) C3C (C3 (C) CO) C=C (C (F) (F) F) Cl
Molecular Formula
C23H22ClF3O3
Molecular Weight
438.9 g/mol
Controlled
No

Chemical Information

Hydroxy-Bifenthrin
CAS Number146726-17-2
PubChem CID125282899
IUPAC Name(2-methyl-3-phenylphenyl)methyl (1R,2R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2-(hydroxymethyl)-2-methylcyclopropane-1-carboxylate
Molecular FormulaC23H22ClF3O3
Molecular Weight438.9
XLogP4.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity644
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)[C@@H]3[C@@H]([C@@]3(C)CO)/C=C(/C(F)(F)F)\Cl
InChI
InChI=1S/C23H22ClF3O3/c1-14-16(9-6-10-17(14)15-7-4-3-5-8-15)12-30-21(29)20-18(22(20,2)13-28)11-19(24)23(25,26)27/h3-11,18,20,28H,12-13H2,1-2H3/b19-11-/t18-,20-,22+/m0/s1
InChIKey
KJKKJIJMVYASMB-PDTAEHFDSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-Bifenthrin
CAS: 146726-17-2
CID: 125282899
Formula: C23H22ClF3O3
MW: 438.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.9
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass438.1209567
Monoisotopic Mass438.1209567
Topological Polar Surface Area46.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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