Basic information
- CAS
4988-32-3- Standard SMILES
Cc1ccc(Nc2cc(Br)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1- InChIKey
GQTWYYLBEROHDB-UHFFFAOYSA-N- Molecular formula
- C21H15BrN2O5S
- Average molar mass
- 487.3 g/mol
- Monoisotopic mass
- 485.98851
Names & identifiers
- Preferred name
- 2-[(4-Amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid
- IUPAC
- 2-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid
Names & synonyms
SCHEMBL11157198NS00045063
Database identifiers
- CAS
4988-32-3- PubChem CID
- 80897
- Nikkaji
- J203.224D
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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