5-Chloro-6-nitrosooctahydro-4,7-methano-2-benzofuran
Basic information
- CAS
6319-08-0- Standard SMILES
O=NC1C(Cl)C2CC1C1COCC21- InChIKey
IYAJFQMOIACNQB-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO2
- Average molar mass
- 201.65 g/mol
- Monoisotopic mass
- 201.0556563
Names & identifiers
- Preferred name
- 5-Chloro-6-nitrosooctahydro-4,7-methano-2-benzofuran
- IUPAC
- 8-chloro-9-nitroso-4-oxatricyclo[5.2.1.02,6]decane
Names & synonyms
5-Chloro-6-nitrosooctahydro-4,7-methano-2-benzofuran6319-08-0NSC31980NSC 31980chloro(nitroso)[?]DTXSID20979188NSC94937NSC-31980NSC-949374, 5-chloro octahydro-6-nitroso-, dimer
Database identifiers
- CAS
6319-08-0- PubChem CID
- 233454
- DTXSID
DTXSID20979188
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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