Basic information
- CAS
38206-97-2- Standard SMILES
Cc1cc(Br)c(OCC(=O)O)c(Br)c1- InChIKey
HSAWQOYEJFEMOK-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O3
- Average molar mass
- 323.97 g/mol
- Monoisotopic mass
- 321.88402
Names & identifiers
- Preferred name
- (2,6-Dibromo-4-methylphenoxy)acetic acid
- IUPAC
- 2-(2,6-dibromo-4-methylphenoxy)acetic acid
Names & synonyms
(2,6-Dibromo-4-methylphenoxy)acetic acid38206-97-2DTXSID70294277RefChem:205611DTXCID20245416HSAWQOYEJFEMOK-UHFFFAOYSA-N2-(2,6-dibromo-4-methylphenoxy)acetic acidNSC95692CHEMBL173477SCHEMBL6746937NSC-95692
Database identifiers
- CAS
38206-97-2- PubChem CID
- 262245
- DTXSID
DTXSID70294277- ChEMBL
CHEMBL173477- Nikkaji
- J1.392.601H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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