Basic information
- Standard SMILES
CC1(C)C(=O)NC(=O)c2c1cc(Br)c(N)c2[N+](=O)[O-]- InChIKey
BCGXRHUEXBCWGF-UHFFFAOYSA-N- Molecular formula
- C11H10BrN3O4
- Average molar mass
- 328.12 g/mol
Names & identifiers
- Preferred name
- 7-amino-6-bromo-4,4-dimethyl-8-nitroisoquinoline-1,3(2H,4H)-dione
- IUPAC
- 7-amino-6-bromo-4,4-dimethyl-8-nitroisoquinoline-1,3-dione
Names & synonyms
SCHEMBL4693423BCGXRHUEXBCWGF-UHFFFAOYSA-N7-amino-6-bromo-4,4-dimethyl-8-nitroisoquinoline-1,3(2H,4H)-dione
Database identifiers
- PubChem CID
- 59645467
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 448
Related reactions
3 records
Compound notes
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