3-Acetyl-5-bromo-2-hydroxybenzoic acid
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Basic information
- Standard SMILES
CC(=O)c1cc(Br)cc(C(=O)O)c1O- InChIKey
QESNTDJABPDFQZ-UHFFFAOYSA-N- Molecular formula
- C9H7BrO4
- Average molar mass
- 259.05 g/mol
- Monoisotopic mass
- 257.95277
Names & identifiers
- Preferred name
- 3-Acetyl-5-bromo-2-hydroxybenzoic acid
- IUPAC
- 3-acetyl-5-bromo-2-hydroxybenzoic acid
Names & synonyms
3-acetyl-5-bromo-2-hydroxybenzoic acidSCHEMBL6175731QESNTDJABPDFQZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 11010686
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
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Related reactions
1 records
Compound notes
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