| CAS Number | 854357-47-4 |
| Catalog Number | AG00IDO1 |
| Chemical Name | 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid |
| IUPAC Name | 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H9FO3S/c1-15-5-6-9-7(12)3-2-4-8(9)16-10(6)11(13)14/h2-4H,5H2,1H3,(H,13,14) |
| InChI Key | CDOZCHNGLKPZLS-UHFFFAOYSA-N |
| MDL Number | MFCD06655917 |
| Molecular Formula | C11H9FO3S |
| Molecular Weight | 240.2508 |
| SMILES | COCC1C2=C(C=CC=C2F)SC=1C(O)=O |
| Synonyms | 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid,
854357-47-4,
AC1NLQQ8,
AC1Q4FK0,
CTK7B2669,
ZINC4206711,
MFCD06655917,
AKOS000118506,
MCULE-5374284393,
NE18219,
EN300-13542,
Z90660995,
CID4962499,
4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic Acid,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.248g/mol |
| Monoisotopic Mass | 240.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number