| CAS Number | 83322-02-5 |
| Catalog Number | AG01CC5P(AGN-PC-0UODM3) |
| Chemical Name | trans-Bifenthrin |
| IUPAC Name | (2-methyl-3-phenylphenyl)methyl (1S,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate |
| InChI | InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20+/m0/s1 |
| InChI Key | OMFRMAHOUUJSGP-GUGVIDNXSA-N |
| MDL Number | MFCD00143694 |
| Molecular Formula | C23H22ClF3O2 |
| Molecular Weight | 422.8678 |
| SMILES | CC1=C(C=CC=C1COC(=O)[C@H]2[C@@H](C2(C)C)/C=C(/C(F)(F)F)Cl)C3=CC=CC=C3 |
| Synonyms | trans-Bifenthrin,
Bifenthrin, trans,
83322-02-5,
DTXSID1058501,
ZINC1532089,
CJ-24130,
trans-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic Acid (2-methyl[1,1'-biphenyl]-3-yl)methyl Ester,
|
| Complexity | 622 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 422.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 422.872g/mol |
| Monoisotopic Mass | 422.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number