1,4-Dihydro-1,2,3,4,9,9-hexachloro-1,4-methanonaphthalene-5,8-diol
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Basic information
- CAS
5210-87-7- Standard SMILES
Oc1ccc(O)c2c1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl- InChIKey
HGWPFZAIXJHLBN-UHFFFAOYSA-N- Molecular formula
- C11H4Cl6O2
- Average molar mass
- 380.9 g/mol
- Monoisotopic mass
- 377.834246
Names & identifiers
- Preferred name
- 1,4-Dihydro-1,2,3,4,9,9-hexachloro-1,4-methanonaphthalene-5,8-diol
- IUPAC
- 1,8,9,10,11,11-hexachlorotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-3,6-diol
- English name
- 1,4-Methanonaphthalene-5,8-diol, 1,2,3,4,9,9-hexachloro-1,4-dihydro-
- Molecular formula
- C11H4Cl6O2
- Molecular weight
- 380.87
Names & synonyms
5210-87-7MLS0026388571,4-Methanonaphthalene-5,8-diol, 1,2,3,4,9,9-hexachloro-1,4-dihydro-1,2,3,4,9,9-hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diol1,4-Dihydro-1,2,3,4,9,9-hexachloro-1,4-methanonaphthalene-5,8-diolNSC22203CHEMBL1697947SCHEMBL11458786DTXSID90966464HGWPFZAIXJHLBN-UHFFFAOYSA-NHMS3078M21MFCD06796377
Show more names
NSC-22203SMR001548319DB-0255551,8,9,10,11,11-HEXACHLOROTRICYCLO[6.2.1.0(2,7)]UNDECA-2(7),3,5,9-TETRAENE-3,6-DIOL
Database identifiers
- CAS
5210-87-7- PubChem CID
- 228946
- DTXSID
DTXSID90966464- ChEMBL
CHEMBL1697947- Nikkaji
- J814.315C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 440
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Related reactions
7 records
Compound notes
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