Ethyl 4-(4-iodophenyl)thiazole-2-carboxylate
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Basic information
- CAS
1359704-96-3- Standard SMILES
CCOC(=O)c1nc(-c2ccc(I)cc2)cs1- InChIKey
NXSMTYVQZLQOLO-UHFFFAOYSA-N- Molecular formula
- C12H10INO2S
- Average molar mass
- 359.18 g/mol
- Monoisotopic mass
- 358.9477
Names & identifiers
- Preferred name
- Ethyl 4-(4-iodophenyl)thiazole-2-carboxylate
- IUPAC
- ethyl 4-(4-iodophenyl)-1,3-thiazole-2-carboxylate
- English name
- Ethyl 4-(4-iodophenyl)thiazole-2-carboxylate
- Molecular formula
- C12H10INO2S
- Molecular weight
- 359.18
Names & synonyms
ethyl 4-(4-iodophenyl)thiazole-2-carboxylate1359704-96-3ethyl 4-(4-iodophenyl)-1,3-thiazole-2-carboxylateMFCD11111537DB-023263Ethyl4-(4-iodophenyl)thiazole-2-carboxylateEthyl 4-(4-iodophenyl)-2-thiazolecarboxylate2-Thiazolecarboxylic acid, 4-(4-iodophenyl)-, ethyl ester
Database identifiers
- CAS
1359704-96-3- PubChem CID
- 60145975
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 424.7 · 424.7±47.0 °C(Predicted)
- Density
- 1.679 · 1.679±0.06 g/cm3(Predicted)
- pka
- -0.53 · -0.53±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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