2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
Basic information
- CAS
42901-99-5- Standard SMILES
CCc1nc(C)ncc1-c1ccc([N+](=O)[O-])cc1O- InChIKey
LRMVHGWSZVKZGN-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- 2-(4-Ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
- IUPAC
- 2-(4-ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
Names & synonyms
42901-99-52-(4-ethyl-2-methylpyrimidin-5-yl)-5-nitrophenolNSC171323DTXSID60305644NSC-171323
Database identifiers
- CAS
42901-99-5- PubChem CID
- 298947
- DTXSID
DTXSID60305644
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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