Basic information
- CAS
1187056-38-7- Standard SMILES
CCOC(=O)c1csc(-c2c(F)cccc2F)n1- InChIKey
DDPCNNSTYGJTTL-UHFFFAOYSA-N- Molecular formula
- C12H9F2NO2S
- Average molar mass
- 269.27 g/mol
- Monoisotopic mass
- 269.03220597
Names & identifiers
- Preferred name
- Ethyl 2-(2,6-difluorophenyl)thiazole-4-carboxylate
- IUPAC
- ethyl 2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylate
- English name
- ethyl 2-(2,6-difluorophenyl)thiazole-4-carboxylate
- Molecular formula
- C12H9F2NO2S
- Molecular weight
- 269.27
Names & synonyms
Ethyl 2-(2,6-difluorophenyl)thiazole-4-carboxylate1187056-38-7ethyl 2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylateSCHEMBL318924DTXSID30732105DDPCNNSTYGJTTL-UHFFFAOYSA-NMXB05638MFCD22581284AKOS017324618SY287867DB-351279Ethyl2-(2,6-difluorophenyl)thiazole-4-carboxylate
Show more names
4-Thiazolecarboxylic acid, 2-(2,6-difluorophenyl)-, ethyl ester
Database identifiers
- CAS
1187056-38-7- PubChem CID
- 59455697
- DTXSID
DTXSID30732105
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers5 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海先诺生物科技有限公司021-50718719 13918719472
上海睿升化工科技有限公司15026594951 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
11 records
Compound notes
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