Basic information
- CAS
75350-74-2- Standard SMILES
CC(C)(C)C1CCC(OC(=O)c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
NIGSOOBOIJTAMD-UHFFFAOYSA-N- Molecular formula
- C17H23NO4
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.16270821
Names & identifiers
- Preferred name
- 4-Tert-butylcyclohexyl 4-nitrobenzoate
- IUPAC
- (4-tert-butylcyclohexyl) 4-nitrobenzoate
Names & synonyms
4-tert-butylcyclohexyl 4-nitrobenzoate75350-74-2DTXSID40299693RefChem:296441DTXCID20250828NSC132129NSC-132129
Database identifiers
- CAS
75350-74-2- PubChem CID
- 280480
- DTXSID
DTXSID40299693- Nikkaji
- J941.131C
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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