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Basic information
- CAS
2403-49-8- Standard SMILES
CCOC(OCC)c1cccc([N+](=O)[O-])c1- InChIKey
DBFFJBYBAVNICK-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- 1-(Diethoxymethyl)-3-nitrobenzene
- IUPAC
- 1-(diethoxymethyl)-3-nitrobenzene
Names & synonyms
1-(diethoxymethyl)-3-nitrobenzene2403-49-8NSC2965013-nitrobenzaldehyde diethyl acetalSCHEMBL10638754DTXSID50315712DBFFJBYBAVNICK-UHFFFAOYSA-NNSC-296501
Database identifiers
- CAS
2403-49-8- PubChem CID
- 326161
- DTXSID
DTXSID50315712- Nikkaji
- J1.919.918E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- 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
- 211
Related reactions
1 records
Compound notes
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