1H-Isoindole-1,3(2H)-dione, 2-((4-oxo-4H-3,1-benzoxazin-2-yl)methyl)-
Basic information
- CAS
97118-79-1- Standard SMILES
O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)o1- InChIKey
FEXWXVYNEWKTKL-UHFFFAOYSA-N- Molecular formula
- C17H10N2O4
- Average molar mass
- 306.27 g/mol
- Monoisotopic mass
- 306.0640568
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 2-((4-oxo-4H-3,1-benzoxazin-2-yl)methyl)-
- IUPAC
- 2-[(4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
Names & synonyms
97118-79-12-((4-Oxo-4H-3,1-benzoxazin-2-yl)methyl)-1H-isoindole-1,3(2H)-dioneBRN 47605931H-Isoindole-1,3(2H)-dione, 2-((4-oxo-4H-3,1-benzoxazin-2-yl)methyl)-DTXSID602427072-[(4-Oxo-4H-3,1-benzoxazin-2-yl)methyl]-1H-isoindole-1,3(2H)-dioneRefChem:239271DTXCID50165198CBMicro_014680Oprea1_473452FEXWXVYNEWKTKL-UHFFFAOYSA-NSMSF0005082
Show more names
STK391511AKOS005432541CB13488ST007141BIM-0014718.P001EU-0051029SR-01000511436SR-01000511436-1
Database identifiers
- CAS
97118-79-1- PubChem CID
- 589907
- DTXSID
DTXSID60242707
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 561
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Related reactions
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Compound notes
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