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Basic information
- CAS
90772-69-3- Standard SMILES
CC(=O)c1ccc(Br)cc1OCC(=O)O- InChIKey
KLOOPHNSSCTKMU-UHFFFAOYSA-N- Molecular formula
- C10H9BrO4
- Average molar mass
- 273.08 g/mol
- Monoisotopic mass
- 271.96842
Names & identifiers
- Preferred name
- 2-(2-Acetyl-5-bromophenoxy)acetic acid
- IUPAC
- 2-(2-acetyl-5-bromophenoxy)acetic acid
Names & synonyms
2-(2-acetyl-5-bromophenoxy)acetic acid90772-69-3(2-acetyl-5-bromophenoxy)acetic acidMFCD04446107NSC160877SCHEMBL1530794DTXSID20303742KLOOPHNSSCTKMU-UHFFFAOYSA-NSTK816647AKOS002233158NSC-1608772-(2-acetyl-5-bromo-phenoxy)acetic acid
Show more names
AS-75418CS-0272043ST45201261V10220Z57392106
Database identifiers
- CAS
90772-69-3- PubChem CID
- 293753
- DTXSID
DTXSID20303742
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
4 records
Compound notes
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