Basic information
- CAS
326832-03-5- Standard SMILES
C/C=C/c1ncnc(OCC)c1[N+](=O)[O-]- InChIKey
PUCIEDVZVMNWNO-HWKANZROSA-N- Molecular formula
- C9H11N3O3
- Average molar mass
- 209.2 g/mol
Names & identifiers
- Preferred name
- (E)-4-Ethoxy-5-nitro-6-(prop-1-en-1-yl)pyrimidine
- IUPAC
- 4-ethoxy-5-nitro-6-[(E)-prop-1-enyl]pyrimidine
- English name
- Pyrimidine, 4-ethoxy-5-nitro-6-(1E)-1-propenyl- (9CI)
- Molecular formula
- C9H11N3O3
- Molecular weight
- 209.2
Names & synonyms
326832-03-5(E)-4-Ethoxy-5-nitro-6-(prop-1-en-1-yl)pyrimidine4-Ethoxy-5-nitro-6-[(1E)-1-propen-1-yl]pyrimidinePyrimidine, 4-ethoxy-5-nitro-6-(1E)-1-propen-1-yl-Pyrimidine, 4-ethoxy-5-nitro-6-(1E)-1-propenyl- (9CI)
Database identifiers
- CAS
326832-03-5
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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