Basic information
- CAS
70076-07-2- Standard SMILES
Cc1cc(C)c(C(=O)Oc2ccc([N+](=O)[O-])cc2)c(C)c1- InChIKey
ZODXLTICRHVRCU-UHFFFAOYSA-N- Molecular formula
- C16H15NO4
- Average molar mass
- 285.29 g/mol
- Monoisotopic mass
- 285.10010796
Names & identifiers
- Preferred name
- 4-Nitrophenyl 2,4,6-trimethylbenzoate
- IUPAC
- (4-nitrophenyl) 2,4,6-trimethylbenzoate
Names & synonyms
4-Nitrophenyl 2,4,6-trimethylbenzoate70076-07-2DTXSID60498727
Database identifiers
- CAS
70076-07-2- PubChem CID
- 12448564
- DTXSID
DTXSID60498727
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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