2-Bromo-4-chloro-5-methoxybenzoic acid
Basic information
- Standard SMILES
COc1cc(C(=O)O)c(Br)cc1Cl- InChIKey
ATBGJJWZVUNYOV-UHFFFAOYSA-N- Molecular formula
- C8H6BrClO3
- Average molar mass
- 265.49 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-4-chloro-5-methoxybenzoic acid
- IUPAC
- 2-bromo-4-chloro-5-methoxybenzoic acid
Names & synonyms
2-bromo-4-chloro-5-methoxybenzoic acid1435479-68-72-Bromo-4-chloro-5-methoxy-benzoic acidMFCD28967300SCHEMBL14939779ATBGJJWZVUNYOV-UHFFFAOYSA-NDB-164001G10175F545796
Database identifiers
- PubChem CID
- 84807663
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 200
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Related reactions
2 records
Compound notes
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