Basic information
- CAS
6843-90-9- Standard SMILES
Cc1c(Br)c(O)c(C(=O)O)c(O)c1Br- InChIKey
RMJIRMPMCXNACJ-UHFFFAOYSA-N- Molecular formula
- C8H6Br2O4
- Average molar mass
- 325.94 g/mol
- Monoisotopic mass
- 323.86328
Names & identifiers
- Preferred name
- gamma-Resorcylic acid, 3,5-dibromo-4-methyl-
- IUPAC
- 3,5-dibromo-2,6-dihydroxy-4-methylbenzoic acid
Names & synonyms
3,5-Dibromo-2,6-dihydroxy-4-methylbenzoic acidBRN 26495643,5-Dibromo-4-methyl-gamma-resorcylic acidgamma-Resorcylic acid, 3,5-dibromo-4-methyl-6843-90-9DTXSID50218557RefChem:346013DTXCID00141048
Database identifiers
- CAS
6843-90-9- PubChem CID
- 201793
- DTXSID
DTXSID50218557- Nikkaji
- J90.497J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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