| CAS Number | 1094254-19-9 |
| Catalog Number | AG019WSL(AGN-PC-0WOBG7) |
| Chemical Name | 5-Fluoro-3-methyl-1-benzothiophene-2-carboxylic acid |
| IUPAC Name | 5-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid |
| InChI | InChI=1S/C10H7FO2S/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13) |
| InChI Key | XJCCCHHWBCGPCB-UHFFFAOYSA-N |
| MDL Number | MFCD11207696 |
| Molecular Formula | C10H7FO2S |
| Molecular Weight | 210.2248 |
| SMILES | CC1C2=C(C=CC(=C2)F)SC=1C(O)=O |
| Synonyms | 5-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid,
1094254-19-9,
SCHEMBL2893771,
CTK7C1384,
ZINC36928809,
AKOS008124230,
MCULE-4641764763,
NE30220,
SC-19698,
EN300-53039,
AB01005627-01,
5-FLUORO-3-METHYL-1-BENZOTHIOPHENE-2-CARBOXYLIC AC,
AC1Q2GJW,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.015079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.23g/mol |
| Monoisotopic Mass | 210.015079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number