| CAS Number | 2059994-76-0 |
| Catalog Number | AG01B5QR |
| Chemical Name | methyl 4,7-difluoro-1-benzothiophene-2-carboxylate |
| IUPAC Name | methyl 4,7-difluoro-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C10H6F2O2S/c1-14-10(13)8-4-5-6(11)2-3-7(12)9(5)15-8/h2-4H,1H3 |
| InChI Key | MCJQGBYCYITYHR-UHFFFAOYSA-N |
| MDL Number | MFCD29378738 |
| Molecular Formula | C10H6F2O2S |
| Molecular Weight | 228.2152 |
| SMILES | COC(C1SC2=C(C(=CC=C2F)F)C=1)=O |
| Synonyms | methyl 4,7-difluoro-1-benzothiophene-2-carboxylate,
2059994-76-0,
AKOS033980326,
ZINC396171583,
Z2687190969,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.213g/mol |
| Monoisotopic Mass | 228.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number