Charge
trans-[cyano-(4-phenoxyphenyl)methyl] (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Molecular Identity
Charge
trans-[cyano-(4-phenoxyphenyl)methyl] (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID: 91746717
2D Structure
Properties
C23H19ClF3NO3
Molecular Formula
449.80
Molecular Weight
g/mol
449.1006
Exact Mass
Da
6.1
XLogP
Above Lipinski threshold
59.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
728
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC=C(C=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)CIsomeric SMILES
SMILES: CC1([C@@H]([C@@H]1C(=O)OC(C#N)C2=CC=C(C=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)CSynonyms(6)
ExcaliburChargeCyhalothrin (lambda)(R)-Cyano(3-phenoxyphenyl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethylcyclopropanecarboxylate, (1S,3S)-rel-[1.alpha.(S*),3.alpha.(Z)]-(.+/-.)-Cyano-(3-phenoxyphenyl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylateCyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-,cyano(3-phenoxyphenyl)methyl ester, (1-.alpha.(S*),3-.alpha.(Z))- (.+/-.)-
Data from PubChem (NCBI)
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