2,5-Bis(aziridin-1-yl)-3-fluoro-6-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
59886-45-2- Standard SMILES
O=C1C(F)=C(N2CC2)C(=O)C(N2CCOCC2)=C1N1CC1- InChIKey
ZLYFLISWTUFTOE-UHFFFAOYSA-N- Molecular formula
- C14H16FN3O3
- Average molar mass
- 293.29 g/mol
- Monoisotopic mass
- 293.11756954
Names & identifiers
- Preferred name
- 2,5-Bis(aziridin-1-yl)-3-fluoro-6-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-bis(aziridin-1-yl)-3-fluoro-6-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
59886-45-2NSC2517282,5-bis(aziridin-1-yl)-3-fluoro-6-morpholin-4-ylcyclohexa-2,5-diene-1,4-dioneDTXSID20330376NSC-251728DS-0036702,4-dione, 2,5-bis(1-aziridinyl)-3-fluoro-6-(4-morpholinyl)-2,5-BIS(AZIRIDIN-1-YL)-3-FLUORO-6-(MORPHOLIN-4-YL)CYCLOHEXA-2,5-DIENE-1,4-DIONE2,5-CYCLOHEXADIENE-1,4-DIONE,2,5-BIS(1-AZIRIDINYL)-3-FLUORO-6-(4-MORPHOLINYL)-
Database identifiers
- CAS
59886-45-2- PubChem CID
- 429252
- DTXSID
DTXSID20330376
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 584
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Compound notes
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