Basic information
- CAS
5350-25-4- Standard SMILES
O=C(O)c1ccccc1-c1c2ccc(=O)c(Br)c-2oc2c(Br)c(O)ccc12- InChIKey
YVPBVWICNJPHCW-UHFFFAOYSA-N- Molecular formula
- C20H10Br2O5
- Average molar mass
- 490.1 g/mol
- Monoisotopic mass
- 487.8895
Names & identifiers
- Preferred name
- Benzoic acid, 2-(4,5-dibromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-
- IUPAC
- 2-(4,5-dibromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
- English name
- Benzoic acid, 2-(4,5-dibromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-
- Molecular weight
- 0
Names & synonyms
Benzoic acid, 2-(4,5-dibromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-RefChem:5654215350-25-4NSC62-(4,5-Dibromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid2-(4,5-dibromo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acidSCHEMBL15424239SCHEMBL29588006DTXSID60201713YVPBVWICNJPHCW-UHFFFAOYSA-NSBB057763AKOS024285049
Show more names
EBC-346045ST0805832-(4,5-dibromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
Database identifiers
- CAS
5350-25-4- PubChem CID
- 72753
- DTXSID
DTXSID60201713- Nikkaji
- J79.259D
Properties
Computed structural properties
- XLogP
- 4
- 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
- 768
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationBenzoic acid, 2-(4,5-dibromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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