Basic information
- CAS
13350-57-7- Standard SMILES
NC12C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl- InChIKey
KCRHNURXNCHJNT-UHFFFAOYSA-N- Molecular formula
- C9H2Cl9N
- Average molar mass
- 443.2 g/mol
- Monoisotopic mass
- 438.738398
Names & identifiers
- Preferred name
- 1,2,3,5,6,7,8,9,9-Nonachloropentacyclo[4.3.0.02,5.03,8.04,7]nonan-4-amine
- IUPAC
- 1,2,3,5,6,7,8,9,9-nonachloropentacyclo[4.3.0.02,5.03,8.04,7]nonan-4-amine
Names & synonyms
NSC10291813350-57-7NSC 102918DTXSID00329228NSC-1029181,2,3,5,6,7,8,9,9-Nonachloropentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonan-4-amine
Database identifiers
- CAS
13350-57-7- PubChem CID
- 418600
- DTXSID
DTXSID00329228
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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