Basic information
- Standard SMILES
COc1c(C)cc(Br)cc1C(=O)O- InChIKey
BYGJVQRRBRCFSQ-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-2-methoxy-3-methylbenzoic acid
- IUPAC
- 5-bromo-2-methoxy-3-methylbenzoic acid
Names & synonyms
5-bromo-2-methoxy-3-methylbenzoic acid159121-84-35-Bromo-2-methoxy-3-methyl-benzoic acidSMR000077580MLS000064751SCHEMBL8545309CHEMBL1488755REGID_for_CID_961919BYGJVQRRBRCFSQ-UHFFFAOYSA-NHMS2431P12MFCD05797690STK180643
Show more names
AKOS000109337AT380122-methoxy-3-methyl-5-bromobenzoic acidDB-206796ST4122622CS-0328624SR-01000280901SR-01000280901-1
Database identifiers
- PubChem CID
- 961919
- ChEMBL
CHEMBL1488755
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Related reactions
2 records
Compound notes
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