Basic information
- CAS
887408-43-7- Standard SMILES
CCc1cccc(OC(=O)c2cncnc2)c1I- InChIKey
NUZJSNGMNPWLRE-UHFFFAOYSA-N- Molecular formula
- C13H11IN2O2
- Average molar mass
- 354.14 g/mol
- Monoisotopic mass
- 353.98653
Names & identifiers
- Preferred name
- 3-Ethyl-2-iodophenyl pyrimidine-5-carboxylate
- IUPAC
- (3-ethyl-2-iodophenyl) pyrimidine-5-carboxylate
Names & synonyms
3-Ethyl-2-iodophenyl pyrimidine-5-carboxylateDTXSID70695462
Database identifiers
- CAS
887408-43-7- PubChem CID
- 53404997
- DTXSID
DTXSID70695462
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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