Basic information
- CAS
495374-23-7- Standard SMILES
O=C(O)CCC(C(=O)O)N1C(=O)C2C3CC(C(Br)C3Br)C2C1=O- InChIKey
NRXFVCDLBRGEDJ-UHFFFAOYSA-N- Molecular formula
- C14H15Br2NO6
- Average molar mass
- 453.08 g/mol
- Monoisotopic mass
- 450.92661
Names & identifiers
- Preferred name
- CID 3737131
- IUPAC
- 2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)pentanedioic acid
- English name
- 2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)pentanedioic acid
- Molecular formula
- C14H15Br2NO6
- Molecular weight
- 453.08
Names & synonyms
AN-919/155271082-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)pentanedioic acid2-(8,9-Dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)pentanedioic acidPentanedioic acid, 2-(5,6-dibromooctahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-
Database identifiers
- CAS
495374-23-7- PubChem CID
- 3737131
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Boiling point
- 675.5 · 675.5±55.0 °C(Predicted)
- Density
- 1.999 · 1.999±0.06 g/cm3(Predicted)
- pka
- 3.54 · 3.54±0.10(Predicted)
Chemistry & industry
Suppliers2 total
PHARMEKS Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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