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1S,3R,alphaR-Deltamethrin

CAT: 0572-TRC-D230790-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D230790-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106454-65-3
Hazard Statement
No Data Available
Smiles
CC1(C)[C@@H](C=C(Br)Br)[C@@H]1C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2
Molecular Formula
C22 H19 Br2 N O3
Molecular Weight
505.199
InChI
InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18-,20+/m0/s1
Additionnal Information
IUPAC name: [(R)-cyano-(3-phenoxyphenyl)methyl] (1S,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Shipping Conditions
Room Temperature

Chemical Information

[(R)-cyano-(3-phenoxyphenyl)methyl] (1S,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CAS Number106454-65-3
PubChem CID184652
IUPAC Namecis-[(R)-cyano-(3-phenoxyphenyl)methyl] (1S,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC22H19Br2NO3
Molecular Weight505.2
XLogP6.2
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity643
SMILES
CC1([C@H]([C@@H]1C(=O)O[C@@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
InChI
InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18-,20+/m0/s1
InChIKey
OWZREIFADZCYQD-CMKODMSKSA-N
Chemical Structure
2D Structure
2D structure of [(R)-cyano-(3-phenoxyphenyl)methyl] (1S,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CAS: 106454-65-3
CID: 184652
Formula: C22H19Br2NO3
MW: 505.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight505.2
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass504.97112
Monoisotopic Mass502.97317
Topological Polar Surface Area59.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes