(3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate
Basic information
- CAS
22467-58-9- Standard SMILES
CC1(OC(=O)c2ccc([N+](=O)[O-])cc2)CC2CCC1C2- InChIKey
KKEJRNFFZBCZMW-UHFFFAOYSA-N- Molecular formula
- C15H17NO4
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.11575802
Names & identifiers
- Preferred name
- (3-Methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate
- IUPAC
- (2-methyl-2-bicyclo[2.2.1]heptanyl) 4-nitrobenzoate
Names & synonyms
22467-58-9NSC167498(3-methyl-3-bicyclo[2.2.1]heptanyl) 4-nitrobenzoateDTXSID703048252-methyl-2-norbornyl p-nitro-benzoateAKOS024325092NSC-1674982-METHYL-ENDO-NORBORNYL 4-NITROBENZOATE2-METHYL-EXO-NORBORNYL 4-NITROBENZOATE2-METHYLBICYCLO[2.2.1]HEPTAN-2-YL 4-NITROBENZOATE
Database identifiers
- CAS
22467-58-9- PubChem CID
- 296929
- DTXSID
DTXSID70304825
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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