Basic information
- Standard SMILES
O=C(c1c(Br)c(Br)c(Br)c(Br)c1Br)N1C(=O)C2CCC(Br)C(Br)C2C1=O- InChIKey
YAVQTECQXQOVCE-UHFFFAOYSA-N- Molecular formula
- C15H8Br7NO3
- Average molar mass
- 809.6 g/mol
- Monoisotopic mass
- 802.47878
Names & identifiers
- Preferred name
- N-(pentabromobenzoyl)-3,4-dibromohexahydrophthalimide
- IUPAC
- 4,5-dibromo-2-(2,3,4,5,6-pentabromobenzoyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Names & synonyms
SCHEMBL11833672YAVQTECQXQOVCE-UHFFFAOYSA-NN-(pentabromobenzoyl)-3,4-dibromohexahydrophthalimide
Database identifiers
- PubChem CID
- 21542799
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 618
Related reactions
2 records
Compound notes
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