2-Methoxyethyl 4-nitrobenzoate
Basic information
- CAS
90737-00-1- Standard SMILES
COCCOC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
RVZMIDFCHOCLRG-UHFFFAOYSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.06372245
Names & identifiers
- Preferred name
- 2-Methoxyethyl 4-nitrobenzoate
- IUPAC
- 2-methoxyethyl 4-nitrobenzoate
Names & synonyms
2-methoxyethyl 4-nitrobenzoateSCHEMBL28905348DTXSID001205267AKOS00327490090737-00-1Poly(oxy-1,2-ethanediyl), I+/--(4-nitrobenzoyl)-I-methoxy-
Database identifiers
- CAS
90737-00-1- PubChem CID
- 4564697
- DTXSID
DTXSID001205267
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
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Compound notes
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