Basic information
- CAS
10472-51-2- Standard SMILES
O=C(OC1CC2CCC1C2)c1ccc([N+](=O)[O-])cc1- InChIKey
RLVNNIKQWLZQKH-UHFFFAOYSA-N- Molecular formula
- C14H15NO4
- Average molar mass
- 261.27 g/mol
- Monoisotopic mass
- 261.10010796
Names & identifiers
- Preferred name
- Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate
- IUPAC
- 2-bicyclo[2.2.1]heptanyl 4-nitrobenzoate
Names & synonyms
10472-51-2bicyclo[2.2.1]hept-2-yl 4-nitrobenzoateNSC1204312-norbornyl p-nitrobenzoateSCHEMBL17951350DTXSID30298059NSC-120431BICYCLO[2.2.1]HEPTAN-2-YL 4-NITROBENZOATE
Database identifiers
- CAS
10472-51-2- PubChem CID
- 274396
- DTXSID
DTXSID30298059
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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