Basic information
- CAS
61886-54-2- Standard SMILES
Cc1cccc(Nc2cc(Br)c(N)c3c2C(=O)c2ccccc2C3=O)c1S(=O)(=O)O- InChIKey
SHONRZHXNYRHLZ-UHFFFAOYSA-N- Molecular formula
- C21H15BrN2O5S
- Average molar mass
- 487.3 g/mol
- Monoisotopic mass
- 485.98851
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2(or 5)-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-5(or 2)-methyl-
- IUPAC
- 2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-6-methylbenzenesulfonic acid
Names & synonyms
EINECS 263-294-1DTXSID2069521Benzenesulfonic acid, 2(or 5)-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-5(or 2)-methyl-Benzenesulfonic acid, 2(or 5)-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-5(or 2)-methyl-RefChem:563927DTXCID704316261886-54-2SHONRZHXNYRHLZ-UHFFFAOYSA-NNS000348292(Or 5)-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)-5(or 2)-methylbenzenesulphonic acid2-[(4-AMINO-3-BROMO-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL)AMINO]-6-METHYLBENZENE-1-SULFONIC ACID
Database identifiers
- CAS
61886-54-2- PubChem CID
- 112769
- DTXSID
DTXSID2069521- EC Number
- 263-294-1
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 800
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2(or 5)-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-5(or 2)-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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