| CAS Number | 1781503-02-3 |
| Catalog Number | AG01FH8K(AGN-PC-3H4AN3) |
| Chemical Name | 7-Bromo-6-fluorobenzothiophene-2-carboxylic acid |
| IUPAC Name | 7-bromo-6-fluoro-1-benzothiophene-2-carboxylic acid |
| InChI | InChI=1S/C9H4BrFO2S/c10-7-5(11)2-1-4-3-6(9(12)13)14-8(4)7/h1-3H,(H,12,13) |
| InChI Key | WUIBIZVIHKYKCB-UHFFFAOYSA-N |
| MDL Number | MFCD28967912 |
| Molecular Formula | C9H4BrFO2S |
| Molecular Weight | 275.0943 |
| SMILES | OC(=O)c1cc2c(s1)c(Br)c(cc2)F |
| Synonyms | 7-Bromo-6-fluorobenzo[b]thiophene-2-carboxylic acid,
1781503-02-3,
MFCD28967912,
ZINC221034082,
FCH4276899,
PC501692,
PS-11340,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.091g/mol |
| Monoisotopic Mass | 273.91g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number