Basic information
- CAS
14483-57-9- Standard SMILES
Cc1onc(-c2csc(Cl)c2)c1C(=O)O- InChIKey
XHFYNZQDYRSJNM-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO3S
- Average molar mass
- 243.67 g/mol
- Monoisotopic mass
- 242.9756919
Names & identifiers
- Preferred name
- Einecs 238-482-1
- IUPAC
- 3-(5-chlorothiophen-3-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
Names & synonyms
DTXSID70932420EINECS 238-482-1
Database identifiers
- CAS
14483-57-9- PubChem CID
- 84471
- DTXSID
DTXSID70932420
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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