Basic information
- CAS
7501-42-0- Standard SMILES
Cc1ccc2cccc(CCOC(=O)c3ccc([N+](=O)[O-])cc3)c2c1- InChIKey
NRTPRUKGIKSJRU-UHFFFAOYSA-N- Molecular formula
- C20H17NO4
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.11575802
Names & identifiers
- Preferred name
- 2-(7-Methylnaphthalen-1-yl)ethyl 4-nitrobenzoate
- IUPAC
- 2-(7-methylnaphthalen-1-yl)ethyl 4-nitrobenzoate
Names & synonyms
7501-42-02-(7-methylnaphthalen-1-yl)ethyl 4-nitrobenzoateNSC406470DTXSID40324353NSC-406470
Database identifiers
- CAS
7501-42-0- PubChem CID
- 347679
- DTXSID
DTXSID40324353
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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