3-Ethyl-2-nitrophenyl pyrimidine-5-carboxylate
Basic information
- CAS
887408-37-9- Standard SMILES
CCc1cccc(OC(=O)c2cncnc2)c1[N+](=O)[O-]- InChIKey
NWBCAFWHOOOJGR-UHFFFAOYSA-N- Molecular formula
- C13H11N3O4
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.07495584
Names & identifiers
- Preferred name
- 3-Ethyl-2-nitrophenyl pyrimidine-5-carboxylate
- IUPAC
- (3-ethyl-2-nitrophenyl) pyrimidine-5-carboxylate
Names & synonyms
3-Ethyl-2-nitrophenyl pyrimidine-5-carboxylateDTXSID30695463
Database identifiers
- CAS
887408-37-9- PubChem CID
- 53404998
- DTXSID
DTXSID30695463
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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