Basic information
- Standard SMILES
CCOC(=O)c1nc(Cl)sc1-c1ccccc1- InChIKey
SQLXJTXJYURLDU-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2S
- Average molar mass
- 267.73 g/mol
- Monoisotopic mass
- 267.0120774
Names & identifiers
- Preferred name
- Ethyl 2-chloro-5-phenylthiazole-4-carboxylate
- IUPAC
- ethyl 2-chloro-5-phenyl-1,3-thiazole-4-carboxylate
Names & synonyms
ethyl 2-chloro-5-phenylthiazole-4-carboxylateSCHEMBL3321548SQLXJTXJYURLDU-UHFFFAOYSA-NDB-1277122-chloro-5-phenyl-4-thiazolecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59291332
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 271
Related reactions
5 records
Compound notes
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