| CAS Number | 1379164-23-4 |
| Catalog Number | AG01A4DP(AGN-PC-0WO9TP) |
| Chemical Name | 4-fluoro-1-benzothiophene-7-carboxylic acid |
| IUPAC Name | 4-fluoro-1-benzothiophene-7-carboxylic acid |
| InChI | InChI=1S/C9H5FO2S/c10-7-2-1-6(9(11)12)8-5(7)3-4-13-8/h1-4H,(H,11,12) |
| InChI Key | SOPRMFWHAPJXKL-UHFFFAOYSA-N |
| MDL Number | MFCD20657696 |
| Molecular Formula | C9H5FO2S |
| Molecular Weight | 196.1982 |
| SMILES | O=C(C1=C2C(C=CS2)=C(F)C=C1)O |
| Synonyms | 1379164-23-4,
4-fluorobenzo[b]thiophene-7-carboxylic acid,
4-fluoro-1-benzothiophene-7-carboxylic acid,
Benzo[b]thiophene-7-carboxylic acid, 4-fluoro-,
SCHEMBL3815597,
MFCD20657696,
ZINC90225712,
AKOS026417800,
FCH1238062,
EN300-125301,
Z1888196869,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.195g/mol |
| Monoisotopic Mass | 195.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number