Basic information
- CAS
124-96-9- Standard SMILES
ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl- InChIKey
QBYJBZPUGVGKQQ-UHFFFAOYSA-N- Molecular formula
- C12H8Cl6
- Average molar mass
- 364.9 g/mol
- Monoisotopic mass
- 361.875716
Overview
Aldrin can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-dimethanonaphthalene
- IUPAC
- 1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
Names & synonyms
1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-dimethanonaphthaleneRefChem:1051883CHEMBL195953124-96-91,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1.alpha.,4.alpha.,4a.beta.,5.alpha.,8.alpha.,8a.beta.)-Aldrin DustAldrin-RHHPNOMS-1941,8,9,10,11,11-hexachlorotetracyclo[6.2.1.1<3,6>.0<2,7>]dodeca-4,9-dieneSpectrum_001955SpecPlus_000594
Show more names
Spectrum2_001894Spectrum3_000867Spectrum4_000707Spectrum5_002056BSPBio_002513KBioGR_001233KBioSS_002509SPECTRUM330080
Database identifiers
- CAS
124-96-9- PubChem CID
- 2087
- DTXSID
DTXSID3048104- ChEMBL
CHEMBL195953- Nikkaji
- J1.557.805J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 481
Experimental & physicochemical properties
LogP5.67
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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