Basic information
- CAS
26286-66-8- Standard SMILES
O=C(O)Cc1coc2ccc(Cl)cc12- InChIKey
JTRPWQDAQRNRGJ-UHFFFAOYSA-N- Molecular formula
- C10H7ClO3
- Average molar mass
- 210.61 g/mol
- Monoisotopic mass
- 210.0083718
Names & identifiers
- Preferred name
- 2-(5-chlorobenzofuran-3-yl)acetic Acid
- IUPAC
- 2-(5-chloro-1-benzofuran-3-yl)acetic acid
Names & synonyms
2-(5-chlorobenzofuran-3-yl)acetic Acid26286-66-83-Benzofuranacetic acid, 5-chloro-starbld00335752-(5-chloro-1-benzofuran-3-yl)acetic acidSCHEMBL75332205-Chloro-3-benzofuranacetic acidDTXSID001301976AKOS002672695(5-Chloro-1-benzofuran-3-yl)acetic acidF1907-1434
Database identifiers
- CAS
26286-66-8- PubChem CID
- 9158985
- DTXSID
DTXSID001301976
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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