Basic information
- Standard SMILES
COc1ccc(-c2oc(I)nc2C(=O)O)cc1- InChIKey
JUDBIOVNGNFEKQ-UHFFFAOYSA-N- Molecular formula
- C11H8INO4
- Average molar mass
- 345.09 g/mol
Names & identifiers
- Preferred name
- 2-Iodo-5-(4-methoxyphenyl)oxazole-4-carboxylic acid
- IUPAC
- 2-iodo-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
Names & synonyms
2-iodo-5-(4-methoxyphenyl)oxazole-4-carboxylic acid1082444-88-9SCHEMBL3125450JUDBIOVNGNFEKQ-UHFFFAOYSA-NDB-134942
Database identifiers
- PubChem CID
- 68520872
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
7 records
Compound notes
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