Basic information
- CAS
6409-15-0- Standard SMILES
Nc1c(Br)c(Br)c(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
WETZVVQTMWRYHU-UHFFFAOYSA-N- Molecular formula
- C14H8Br2N2O2
- Average molar mass
- 396.03 g/mol
- Monoisotopic mass
- 393.89525
Names & identifiers
- Preferred name
- 1,4-Diamino-2,3-dibromoanthraquinone
- IUPAC
- 1,4-diamino-2,3-dibromoanthracene-9,10-dione
- English name
- 1,4-diamino-2,3-dibromoanthraquinone
- Molecular formula
- C14H8Br2N2O2
- Molecular weight
- 396.03
Names & synonyms
1,4-Diamino-2,3-dibromoanthraquinoneEINECS 229-079-1QQJ36D8DW2DTXSID702142781,4-Diamino-2,3-dibromo-9,10-anthracenedione9,10-Anthracenedione, 1,4-diamino-2,3-dibromo-RefChem:73191DTXCID70136769229-079-16409-15-01,4-diamino-2,3-dibromoanthracene-9,10-dioneUNII-QQJ36D8DW2
Show more names
1,4-Diamino-2,3-ditbromoanthracene-9,10-dione
SCHEMBL8780481WETZVVQTMWRYHU-UHFFFAOYSA-N1,4-DIAMINO-2,3-DIBROMO-9,10-DIHYDROANTHRACENE-9,10-DIONEMFCD00808886AKOS001661384NS000356361,4-diamino-2,3-dibromoanthra-9,10-quinoneAG-690/36758050
Database identifiers
- CAS
6409-15-0- PubChem CID
- 80848
- DTXSID
DTXSID70214278- UNII
- QQJ36D8DW2
- EC Number
- 229-079-1
- Nikkaji
- J207.014F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- FDA UNII
- 36 D8DW2 · QQJ36D8DW2
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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