Basic information
- CAS
3147-51-1- Standard SMILES
O=C(O)c1c(O)c(Br)cc(Br)c1O- InChIKey
GOHWHEONKZIHTR-UHFFFAOYSA-N- Molecular formula
- C7H4Br2O4
- Average molar mass
- 311.91 g/mol
- Monoisotopic mass
- 309.84763
Names & identifiers
- Preferred name
- 3,5-Dibromo-2,6-dihydroxybenzoic acid
- IUPAC
- 3,5-dibromo-2,6-dihydroxybenzoic acid
- English name
- 2,6-DIBROMO-3,5-DIHYDROXYBENZOIC ACID
- Molecular formula
- C7H4Br2O4
- Molecular weight
- 311.91
Names & synonyms
3,5-Dibromo-2,6-dihydroxybenzoic acid3147-51-1DTXSID70953478RefChem:1065882DTXCID5013815293,5-Dibromo-gamma-resorcylic acidgamma-Resorcylic acid, 3,5-dibromo-NSC 112645BRN 3291906NSC1126451-10-00-00186 (Beilstein Handbook Reference)SCHEMBL7113177
Show more names
3,5-Dibromo-γ-resorcylic acid3,5-Dibromo-2,4-dihydroxybenzoic acidBenzoic acid, 3,5-dibromo-2,6-dihydroxy-
GOHWHEONKZIHTR-UHFFFAOYSA-NNSC-112645DA-24649
Database identifiers
- CAS
3147-51-1- PubChem CID
- 97291
- DTXSID
DTXSID70953478- Nikkaji
- J14.329D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 337.463 · 337.463±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.378 · 2.378±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.127 · 0.127±0.21(predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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