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91465-08-6 molecular structure
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(R)-cyano(3-phenoxyphenyl)methyl (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate

ChemBase ID: 165311
Molecular Formular: C23H19ClF3NO3
Molecular Mass: 449.8500696
Monoisotopic Mass: 449.10055581
SMILES and InChIs

SMILES:
C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O[C@H](c1cc(ccc1)Oc1ccccc1)C#N)(\Cl)/C(F)(F)F
Canonical SMILES:
N#C[C@@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H]1[C@H](C1(C)C)/C=C(/C(F)(F)F)\Cl
InChI:
InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m1/s1
InChIKey:
ZXQYGBMAQZUVMI-RDDWSQKMSA-N

Cite this record

CBID:165311 http://www.chembase.cn/molecule-165311.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(R)-cyano(3-phenoxyphenyl)methyl (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate
IUPAC Traditional name
C23H19ClF3NO3
Synonyms
(1S,3S)-rel-3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-cyclopropanecarboxylic Acid (R)-Cyano(3-phenoxyphenyl)methyl Ester
Karate
Warrior
λ-Cyhalothrin
CAS Number
91465-08-6
PubChem SID
162259444
PubChem CID
6440557

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C988980 external link Add to cart
PubChem 6440557 external link
Data Source Data ID Price
TRC
C988980 external link Add to cart Please log in.
Data Source Data ID
PubChem 6440557 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.619197  H Acceptors
H Donor LogD (pH = 5.5) 5.677481 
LogD (pH = 7.4) 5.6772227  Log P 5.6774845 
Molar Refractivity 110.0142 cm3 Polarizability 41.654907 Å3
Polar Surface Area 59.32 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C988980 external link
Insecticide; pyrethrin analog

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Bhavani, B., et al.: Pestol., 33, 42 (2009)
  • • Patial, A., et al.: Env. Ecol., 27, 320 (2009)
  • • Schleier, J., et al.: J. Med. Entomol., 46, 693 (2009)
  • • Yang, D., et al.: Toxicol. App. Pharmacol., 237, 49 (2009)
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PATENTS

PATENTS

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INTERNET

INTERNET

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