Basic information
- CAS
4715-23-5- Standard SMILES
CC(=O)NC1(O)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C42Cl- InChIKey
NHQCZWZLXALKDB-UHFFFAOYSA-N- Molecular formula
- C12H5Cl10NO2
- Average molar mass
- 549.7 g/mol
- Monoisotopic mass
- 544.720555
Names & identifiers
- Preferred name
- Acetamide, N-(1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2-hydroxy-1,3,4-metheno-1H-cyclobuta(cd)pentalen-2-yl)-
- IUPAC
- N-(1,2,3,4,6,7,8,9,10,10-decachloro-5-hydroxy-5-pentacyclo[5.3.0.02,6.03,9.04,8]decanyl)acetamide
Names & synonyms
Hooker hrs-1362HRS-1362ENT 27,040BRN 2025593AI 3-270404715-23-5Acetamide, N-(1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2-hydroxy-1,3,4-metheno-1H-cyclobuta(cd)pentalen-2-yl)-Acetamide, N-(1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2-hydroxy-1,3,4-methano-1H-cyclobuta(cd)pentalen-2-yl)-Acetamide, N-(1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2-hydroxy-1,3,4-metheno-1H-cyclobuta[cd]pentalen-2-yl)-RefChem:314882DTXSID30963755N-[1,1a,3,3a,4,5,5,5a,5b,6-Decachloro-2-hydroxyoctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-yl]ethanimidic acid
Database identifiers
- CAS
4715-23-5- PubChem CID
- 199667
- DTXSID
DTXSID30963755- Nikkaji
- J55.451K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 747
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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