1-(Diethoxymethyl)-4-nitrobenzene
Basic information
- CAS
2403-62-5- Standard SMILES
CCOC(OCC)c1ccc([N+](=O)[O-])cc1- InChIKey
YYTLYWWTGUCGSH-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- 1-(Diethoxymethyl)-4-nitrobenzene
- IUPAC
- 1-(diethoxymethyl)-4-nitrobenzene
Names & synonyms
1-(diethoxymethyl)-4-nitrobenzene2403-62-5RefChem:226491NSC296502NSC 296502SCHEMBL11692703DTXSID10315713p-nitrobenzaldehyde diethyl acetalBenzene, 1-(diethoxymethyl)-4-nitro-NSC-296502
Database identifiers
- CAS
2403-62-5- PubChem CID
- 326162
- DTXSID
DTXSID10315713- Nikkaji
- J916.669F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
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Compound notes
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