6-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrimidine-2,4-dione
Basic information
- CAS
73541-89-6- Standard SMILES
Cc1ccc(Cl)c(OCc2cc(=O)[nH]c(=O)[nH]2)c1- InChIKey
RUEHYBCOISAQBT-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O3
- Average molar mass
- 266.68 g/mol
- Monoisotopic mass
- 266.0458199
Names & identifiers
- Preferred name
- 6-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrimidine-2,4-dione
- IUPAC
- 6-[(2-chloro-5-methylphenoxy)methyl]-1H-pyrimidine-2,4-dione
Names & synonyms
NSC22535173541-89-6DTXSID00310338NSC-2253516-[(2-Chloro-5-methylphenoxy)methyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
73541-89-6- PubChem CID
- 312960
- DTXSID
DTXSID00310338
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
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Compound notes
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