| CAS Number | 852940-49-9 |
| Catalog Number | AG019OB5(AGN-PC-0WO0W7) |
| Chemical Name | 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid |
| IUPAC Name | 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid |
| InChI | InChI=1S/C10H7FO2S/c1-5-8-6(11)3-2-4-7(8)14-9(5)10(12)13/h2-4H,1H3,(H,12,13) |
| InChI Key | SLKHVQZFOWEYQS-UHFFFAOYSA-N |
| MDL Number | MFCD06655826 |
| Molecular Formula | C10H7FO2S |
| Molecular Weight | 210.2248 |
| SMILES | CC1=C(SC2=CC=CC(=C12)F)C(=O)O |
| Synonyms | 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid,
852940-49-9,
4-Fluoro-3-methylbenzo[b]thiophene-2-carboxylic acid,
AC1NLQL2,
AC1Q2GJL,
SCHEMBL2910452,
CTK7J1403,
ZINC4206512,
MFCD06655826,
AKOS009003472,
MCULE-9658463577,
NE25304,
AS-35872,
FT-0703298,
EN300-13391,
SR-01000068796,
SR-01000068796-1,
Z90124531,
CID4962406,
4-fluoro-3-methyl-benzothiophene-2-carboxylic Acid,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.222g/mol |
| Monoisotopic Mass | 210.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number