| CAS Number | 886369-79-5 |
| Catalog Number | AG00GS3W(AGN-PC-0WA51Y) |
| Chemical Name | 2-(3-Fluoro-phenyl)-thiazole-5-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 2-(3-fluorophenyl)-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C12H10FNO2S/c1-2-16-12(15)10-7-14-11(17-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3 |
| InChI Key | PIIGTUHXTVQOFW-UHFFFAOYSA-N |
| MDL Number | MFCD07375319 |
| Molecular Formula | C12H10FNO2S |
| Molecular Weight | 251.2767 |
| SMILES | O=C(C1=CN=C(C2=CC=CC(F)=C2)S1)OCC |
| Synonyms | 886369-79-5,
Ethyl 2-(3-fluorophenyl)thiazole-5-carboxylate,
2-(3-FLUORO-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER,
ETHYL 2-(3-FLUORO-PHENYL)-THIAZOLE-5-CARBOXYLATE,
DTXSID20695199,
MFCD07375319,
ZINC44136731,
AKOS025404279,
AB41683,
RP06148,
AK187179,
AS-40845,
SC-31084,
Y4548,
C-1792,
ethyl 2-(3-fluorophenyl)-1,3-thiazole-5-carboxylate,
2-(3-FLUORO-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID ETH,
C12H10FNO2S,
ethyl 2-(3-fluorophenyl)thiazole-5-carboxylate, 95% - 1G 1g,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.275g/mol |
| Monoisotopic Mass | 251.042g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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