Basic information
- Standard SMILES
O=c1[nH]c2cc(Br)c(Br)c([N+](=O)[O-])c2[nH]c1=O- InChIKey
HPDZNXVZXICVSF-UHFFFAOYSA-N- Molecular formula
- C8H3Br2N3O4
- Average molar mass
- 364.93 g/mol
Names & identifiers
- Preferred name
- Acea-1031
- IUPAC
- 6,7-dibromo-5-nitro-1,4-dihydroquinoxaline-2,3-dione
Names & synonyms
ACEA-1031ACEA 1031RefChem:9149395-nitro-6,7-dibromo-1,4-dihydro-2,3-quinoxalinedioneCHEMBL136833SCHEMBL2638791SCHEMBL81144616,7-dibromo-5-nitro-1,4-dihydroquinoxaline-2,3-dioneHPDZNXVZXICVSF-UHFFFAOYSA-NBDBM500566186,7-Dibromo-5-nitro-1,4-dihydro-quinoxaline-2,3-dione
Database identifiers
- PubChem CID
- 9799201
- ChEMBL
CHEMBL136833- Nikkaji
- J662.270D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Experimental & physicochemical properties
LogP0.74
Related reactions
9 records
Compound notes
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