1H-Isoindole-1,3(2H)-dione, 2-((6-iodo-4-oxo-4H-3,1-benzoxazin-2-yl)methyl)-
Basic information
- CAS
134700-31-5- Standard SMILES
O=C1c2ccccc2C(=O)N1Cc1nc2ccc(I)cc2c(=O)o1- InChIKey
OWPBSWMJHJKKGT-UHFFFAOYSA-N- Molecular formula
- C17H9IN2O4
- Average molar mass
- 432.17 g/mol
- Monoisotopic mass
- 431.9607
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 2-((6-iodo-4-oxo-4H-3,1-benzoxazin-2-yl)methyl)-
- IUPAC
- 2-[(6-iodo-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
Names & synonyms
134700-31-51H-Isoindole-1,3(2H)-dione, 2-((6-iodo-4-oxo-4H-3,1-benzoxazin-2-yl)methyl)-BRN 47621632-((6-Iodo-4-oxo-4H-3,1-benzoxazin-2-yl)methyl)-1H-isoindole-1,3(2H)-dioneDTXSID801588712-[(6-iodo-4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-1H-isoindole-1,3(2H)-dioneRefChem:239286DTXCID30813622-[(6-iodo-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dioneCBMicro_029429Oprea1_130584BIM-0029352.P001
Show more names
AG-205/11868038SR-01000519398SR-01000519398-15730-99-4
Database identifiers
- CAS
134700-31-5- PubChem CID
- 1036244
- DTXSID
DTXSID80158871
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 596
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Related reactions
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Compound notes
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