Fenpropathrin
| PubChem CID | 47326 |
| Molecular Formula | C22H23NO3 |
| Structure |
|
| Synonyms |
Fenpropathrin
39515-41-8 Meothrin Danimen Danitol Rody Meiothrin Miothrin Herald Kilumal Smash FENPROPANATE Danitol Fiori Ortho Danitol (+-)-Fenpropathrin Fenpropathrin [ISO] Cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate 64257-84-7 S 3206 XE-938 Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, cyano(3-phenoxyphenyl)methyl ester SD 41706 WL 41706 2,2,3,3-Tetramethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester 87BH96P0MX DTXSID0024002 CHEBI:39353 [cyano-(3-phenoxyphenyl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate DTXCID204002 Caswell No. 273H Fenpropathrin, analytical standard (S)-Fenpropathrin .alpha.-Cyano-3-phenoxybenzyl 2,2,3,3-tetramethyl-1-cyclopropanecarboxylate CAS-39515-41-8 CCRIS 7727 HSDB 6636 OMS-1999 EINECS 254-485-0 EPA Pesticide Chemical Code 127901 UNII-87BH96P0MX Fenpropathrine Danitrol AI3-29234 XE 938 Fenpropathrin solution Cyano-3-phenoxybenzyl-2,2,3,3-tetramethylcyclopropanecarboxylate alpha-Cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate FENPROPATHRIN [MI] (.+/-.)-Fenpropathrin (RS)-alpha-Cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate FENPROPANATE [HSDB] SCHEMBL26248 (+/-)-FENPROPATHRIN CHEMBL522994 XQUXKZZNEFRCAW-UHFFFAOYSA- GLXC-27439 Tox21_201531 Tox21_300882 MFCD00144305 [cyano-(3-phenoxyphenyl)methyl] 2,2,3,3-tetramethylcyclopropanecarboxylate AKOS005109978 MS-3673 Fenpropathrin 10 microg/mL in Isooctane NCGC00160404-01 NCGC00160404-02 NCGC00160404-03 NCGC00160404-04 NCGC00160404-05 NCGC00254786-01 NCGC00259081-01 Fenpropathrin 100 microg/mL in Isooctane HY-123178 CS-0081661 NS00000140 C18411 G12380 Fenpropathrin, PESTANAL(R), analytical standard A824595 Q1404816 .alpha.-Cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropanecarboxylate alpha-cyano-3-phenoxybenzyl 2,2,3,3-tetramethylcyclopropane carboxylate cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate CYANO-3-PHENOXYBENZYL-2,2,3,3- TETRAMETHYLCYCLOPROPANECARBOXYLATE .ALPHA.-CYANO-3-PHENOXYBENZYL 2,2,3,3- TETRAMETHYLCYCLOPROPANECARBOXYLATE [cyano-[3-(phenoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate 2,2,3,3-tetramethyl-1-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester 2,2,3,3-TETRAMETHYLCYCLOPROPANECARBOXYLIC ACID CYANO(3- PHENOXYPHENYL)METHYL ESTER CYCLOPROPANECARBOXYLIC ACID, 2,2,3,3-TETRAMETHYL-, CYANO(3- PHENOXYPHENYL)METHYL ESTER Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-,cyano(3-phenoxyphenyl)methyl ester, (+/-)- Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-,cyano(3-phenoxyphenyl)methyl ester, (A+/-)- InChI=1/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3 |
Computed Descriptors
| IUPAC Name | [cyano-(3-phenoxyphenyl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate |
| SMILES | CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C |
| Canonical SMILES | CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C |
| InChI | InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3 |
| InChIKey | XQUXKZZNEFRCAW-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 349.4 g/mol |
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 349.168 |
| Monoisotopic Mass | 349.168 |
| Topological Polar Surface Area | 59.3 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 553 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Annotation
2 pairs of Verified P450 and Fenpropathrin
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Ectropis obliqua | CYP316 | R | |
| Helicoverpa armigera | CYP9A12 | Y |