Basic information
- Standard SMILES
CC1(C)OCC(c2ccc(Oc3ncnc(Cl)c3[N+](=O)[O-])cc2)CO1- InChIKey
CFMGROWXNRPQRE-UHFFFAOYSA-N- Molecular formula
- C16H16ClN3O5
- Average molar mass
- 365.77 g/mol
- Monoisotopic mass
- 365.0778483
Names & identifiers
- Preferred name
- 4-Chloro-6-(4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy)-5-nitropyrimidine
- IUPAC
- 4-chloro-6-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-nitropyrimidine
Names & synonyms
SCHEMBL2716995CFMGROWXNRPQRE-UHFFFAOYSA-N4-chloro-6-(4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy)-5-nitropyrimidine
Database identifiers
- PubChem CID
- 86665162
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Related reactions
2 records
Compound notes
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