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Acynonapyr

CAT: 0926-HDC83817-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-HDC83817-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1332838-17-1
Smiles
CCCOC1=C (C=CC (=C1) C (F) (F) F) OC2CC3CCCC (C2) N3OC4=NC=C (C=C4) C (F) (F) F
Molecular Formula
C24H26F6N2O3
Molecular Weight
504.5 g/mol
Controlled
No

Chemical Information

Acynonapyr
CAS Number1332838-17-1
PubChem CID132115472
IUPAC Name(1S,5R)-3-[2-propoxy-4-(trifluoromethyl)phenoxy]-9-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-9-azabicyclo[3.3.1]nonane
Molecular FormulaC24H26F6N2O3
Molecular Weight504.5
XLogP7.2
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity665
SMILES
CCCOC1=C(C=CC(=C1)C(F)(F)F)OC2C[C@H]3CCC[C@@H](C2)N3OC4=NC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H26F6N2O3/c1-2-10-33-21-11-15(23(25,26)27)6-8-20(21)34-19-12-17-4-3-5-18(13-19)32(17)35-22-9-7-16(14-31-22)24(28,29)30/h6-9,11,14,17-19H,2-5,10,12-13H2,1H3/t17-,18+,19?
InChIKey
GIDAJLLAARKRMS-DFNIBXOVSA-N
Chemical Structure
2D Structure
2D structure of Acynonapyr
CAS: 1332838-17-1
CID: 132115472
Formula: C24H26F6N2O3
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass504.18476167
Monoisotopic Mass504.18476167
Topological Polar Surface Area43.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-A192571-100MGAcynonapyr

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