Basic information
- CAS
27297-02-5- Standard SMILES
O=C(OC1(c2ccccc2)CC2CC1C1CCCC21)c1ccc([N+](=O)[O-])cc1- InChIKey
NKRYLCNOHSETBE-UHFFFAOYSA-N- Molecular formula
- C23H23NO4
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.16270821
Names & identifiers
- Preferred name
- 5-Phenyloctahydro-1h-4,7-methanoinden-5-yl 4-nitrobenzoate
- IUPAC
- (8-phenyl-8-tricyclo[5.2.1.02,6]decanyl) 4-nitrobenzoate
Names & synonyms
27297-02-55-phenyloctahydro-1h-4,7-methanoinden-5-yl 4-nitrobenzoateNSC102275DTXSID50950021NSC-102275
Database identifiers
- CAS
27297-02-5- PubChem CID
- 265779
- DTXSID
DTXSID50950021
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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