| CAS Number | 13771-69-2 |
| Catalog Number | AG018SLA(AGN-PC-04149S) |
| Chemical Name | Ethyl 5-fluorobenzo[b]thiophene-2-carboxylate |
| IUPAC Name | ethyl 5-fluoro-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C11H9FO2S/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3 |
| InChI Key | PQGYDIBMOHLOAA-UHFFFAOYSA-N |
| MDL Number | MFCD12923024 |
| Molecular Formula | C11H9FO2S |
| Molecular Weight | 224.2514 |
| SMILES | CCOC(=O)c1cc2c(s1)ccc(c2)F |
| Synonyms | ethyl 5-fluorobenzo[b]thiophene-2-carboxylate,
13771-69-2,
MFCD12923024,
Benzo[b]thiophene-2-carboxylic acid, 5-fluoro-, ethyl ester,
SCHEMBL11302733,
PQGYDIBMOHLOAA-UHFFFAOYSA-N,
STL302088,
ZINC45202091,
AKOS015909243,
MCULE-4539733983,
ethyl 5-fluoro-1-benzothiophene-2-carboxylate,
VU0549439-1,
I14-32992,
F9995-1180,
154630-32-7,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.249g/mol |
| Monoisotopic Mass | 224.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number