2-(3-Bromo-5-methylphenoxy)acetic acid
Basic information
- CAS
7507-36-0- Standard SMILES
Cc1cc(Br)cc(OCC(=O)O)c1- InChIKey
DENHCCTWBMAPQY-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.97351
Names & identifiers
- Preferred name
- 2-(3-Bromo-5-methylphenoxy)acetic acid
- IUPAC
- 2-(3-bromo-5-methylphenoxy)acetic acid
Names & synonyms
2-(3-bromo-5-methylphenoxy)acetic acid7507-36-0NSC407969DTXSID60324911(3-Bromo-5-methylphenoxy)acetic acidNSC-407969EN300-1917007
Database identifiers
- CAS
7507-36-0- PubChem CID
- 348585
- DTXSID
DTXSID60324911
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
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Compound notes
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