Aldrex
| PubChem CID | 12310947 |
| Molecular Formula | C12H8Cl6 |
| Structure |
|
| Synonyms |
aldrin
HHDN 309-00-2 Aldrine Aldron Algran Compound 118 Aldrex 40 Aldrin [ISO] Aldrosol Kortofin Tatuzinho Aldocit Aldrex Seedrin (1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene OZE3CLY605 DTXSID8020040 NCI-C00044 Aldrin-R ENT 15,949 SD 2794 HHPN 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, endo,exo- (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene Soilgrin Altox 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene Aldrine [French] (1R,2R,3R,6S,7S,8S)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene (1R,4S,4aS,8aR)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene Aldrex 30 Aldrin Dust Caswell No. 012 DTXCID10819882 OMS-194 Latka 118 [Czech] Aldrin, liquid Aldrin, solid RCRA waste number P004 CCRIS 18 CAS-309-00-2 HSDB 199 Latka 118 Aldrex 30 E.C. NSC 8937 EINECS 206-215-8 HHDN [BSI:ISO] NA2762 RCRA waste no. P004 UNII-OZE3CLY605 EPA Pesticide Chemical Code 045101 NSC-8937 AI3-15949 Hexachlorohexahydro-endo-exo-dimethanonaphthalene ALDRIN [HSDB] ALDRIN [IARC] ALDRIN [MI] Aldrin, analytical standard BIDD:PXR0045 SCHEMBL18376 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)- BIDD:ER0446 CHEBI:2564 07A - Organochlorine Pesticides 19A - Organochlorine Pesticides 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo,exo-5,8-dimethanonaphthalene 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-Hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-exo-1,4:5,8-dimethanonaphthalene Aldrin 1000 microg/mL in Hexane 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene, endo,exo- 1,2,3,4,10,10-Hexachloro-1.alpha.,4.alpha.,4a.beta.,5.alpha.,8.alpha.,8a.beta.-hexahydro1,4:5,8-dimethanonaphthalene Aldrin 10 microg/mL in Cyclohexane Aldrin 100 microg/mL in Isooctane Tox21_202072 Tox21_300172 Aldrin 10 microg/mL in Acetonitrile MFCD00135587 Aldrin, solid [NA2761] [Poison] 26 - Organochlorine Pesticides in Soil Aldrin, liquid [NA2762] [Poison] NCGC00249160-01 NCGC00253951-01 NCGC00259621-01 Aldrin, PESTANAL(R), analytical standard 1ST20327-1000A NS00098500 Aldrin Solution in Acetonitrile, 1000?g/mL Aldrin, 99%, vial of 1 g, analytical standard 58 - EQSD Directive - Low Level Organochlorines Q409054 110 - EQSD Directive - Low Level Organochlorines Aldrin, certified reference material, TraceCERT(R) J-018192 Q63398891 |
Computed Descriptors
| IUPAC Name | (1S,2S,3S,6R,7R,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene |
| SMILES | C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl |
| Canonical SMILES | C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl |
| InChI | InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11- |
| InChIKey | QBYJBZPUGVGKQQ-SJJAEHHWSA-N |
Computed Properties
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| Molecular Weight | 364.9 g/mol |
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 363.873 |
| Monoisotopic Mass | 361.876 |
| Topological Polar Surface Area | 0 |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 481 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |