2-Ethoxy-5-nitropyrimidine
Basic information
- CAS
13207-98-2- Standard SMILES
CCOc1ncc([N+](=O)[O-])cn1- InChIKey
RXXOFJDSHUEKPM-UHFFFAOYSA-N- Molecular formula
- C6H7N3O3
- Average molar mass
- 169.14 g/mol
- Monoisotopic mass
- 169.04874109
Names & identifiers
- Preferred name
- 2-Ethoxy-5-nitropyrimidine
- IUPAC
- 2-ethoxy-5-nitropyrimidine
- English name
- Pyrimidine, 2-ethoxy-5-nitro- (8CI,9CI)
- Molecular formula
- C6H7N3O3
- Molecular weight
- 169.14
Names & synonyms
2-ethoxy-5-nitropyrimidine13207-98-2DTXSID50304368RefChem:260361DTXCID70255500Pyrimidine, 2-ethoxy-5-nitro- (8CI,9CI)NSC165529NSC-165529Pyrimidine, 2-ethoxy-5-nitro-
Database identifiers
- CAS
13207-98-2- PubChem CID
- 295902
- DTXSID
DTXSID50304368
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
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Compound notes
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