Ethyl 2-(3-nitrophenyl)-1,3-thiazole-4-carboxylate
Basic information
- CAS
121262-07-5- Standard SMILES
CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1- InChIKey
LWGLXPDMTJTNNH-UHFFFAOYSA-N- Molecular formula
- C12H10N2O4S
- Average molar mass
- 278.29 g/mol
- Monoisotopic mass
- 278.0361278
Names & identifiers
- Preferred name
- Ethyl 2-(3-nitrophenyl)-1,3-thiazole-4-carboxylate
- IUPAC
- ethyl 2-(3-nitrophenyl)-1,3-thiazole-4-carboxylate
Names & synonyms
121262-07-5Ethyl 2-(3-nitrophenyl)thiazole-4-carboxylate4-Thiazolecarboxylic acid, 2-(3-nitrophenyl)-, ethyl esterEthyl 2-(3-nitrophenyl)-1,3-thiazole-4-carboxylateSCHEMBL7089405DTXSID20602005LWGLXPDMTJTNNH-UHFFFAOYSA-NMFCD23148893SY359625CS-0202210ethyl 2-(3-nitrophenyl)-4-thiazolecarboxylate
Database identifiers
- CAS
121262-07-5- PubChem CID
- 20060248
- DTXSID
DTXSID20602005- Nikkaji
- J2.819.079D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
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Related reactions
2 records
Compound notes
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