Basic information
- CAS
117-13-5- Standard SMILES
Nc1c(S(=O)(=O)O)cc(Br)c2c1C(=O)c1cccc(S(=O)(=O)O)c1C2=O- InChIKey
OEBFYWPAABOJCP-UHFFFAOYSA-N- Molecular formula
- C14H8BrNO8S2
- Average molar mass
- 462.3 g/mol
- Monoisotopic mass
- 460.88747
Names & identifiers
- Preferred name
- 5-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid
- IUPAC
- 5-amino-8-bromo-9,10-dioxoanthracene-1,6-disulfonic acid
- English name
- 5-amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid
- Molecular formula
- C14H8BrNO8S2
- Molecular weight
- 462.25
Names & synonyms
117-13-55-Amino-8-bromo-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonic acid5-amino-8-bromo-9,10-dioxoanthracene-1,6-disulfonic acidEINECS 204-176-1OEBFYWPAABOJCP-UHFFFAOYSA-N5-amino-8-bromo-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonic acidDTXSID50151652NS000237765-azanyl-8-bromo-9,10-dioxo-anthracene-1,6-disulfonic acid5-amino-8-bromo-9,10-diketo-anthracene-1,6-disulfonic acid5-Amino-8-bromo-9,10-dihydro-9,10-dioxo-1,6-anthracenedisulfonic acid5-amino-8-bromo-9,10-dioxo-9,10-dihydroan thracene-1,6-disulfonic acid
Show more names
1,6-Anthracenedisulfonic acid, 5-amino-8-bromo-9,10-dihydro-9,10-dioxo-
Database identifiers
- CAS
117-13-5- PubChem CID
- 67013
- DTXSID
DTXSID50151652- EC Number
- 204-176-1
- Nikkaji
- J193.617D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 830
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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