Basic information
- CAS
876556-90-0- Standard SMILES
O=C1C=CC2=C(c3ccccc3C(=O)O)C3C=CC(O)=C(Br)C3OC2=C1Br- InChIKey
IOVKTWVYZPLVNZ-UHFFFAOYSA-N- Molecular formula
- C20H12Br2O5
- Average molar mass
- 492.1 g/mol
Names & identifiers
- Preferred name
- 2-(4,5-Dibromo-3-hydroxy-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid
- IUPAC
- 2-(4,5-dibromo-3-hydroxy-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid
- English name
- 2-(4,5-dibromo-6-hydroxy-3-oxo-8a,10a-dihydro-3H-xanthen-9-yl)benzoic acid
- Molecular formula
- C20H12Br2O5
- Molecular weight
- 492.11428
Names & synonyms
2-(4,5-dibromo-6-hydroxy-3-oxo-8a,10a-dihydro-3H-xanthen-9-yl)benzoic acidAE-562/122222752-(4,5-dibromo-3-hydroxy-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid
Database identifiers
- CAS
876556-90-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 877
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…