| CAS Number | 125493-06-3 |
| Catalog Number | AG01A4QJ(AGN-PC-0WNOY4) |
| Chemical Name | 6-Bromothieno[3,2-b]thiophene-2-carboxylic Acid |
| IUPAC Name | 3-bromothieno[3,2-b]thiophene-5-carboxylic acid |
| InChI | InChI=1S/C7H3BrO2S2/c8-3-2-11-4-1-5(7(9)10)12-6(3)4/h1-2H,(H,9,10) |
| InChI Key | RLUHYSKWVZFEOE-UHFFFAOYSA-N |
| MDL Number | MFCD20529149 |
| Molecular Formula | C7H3BrO2S2 |
| Molecular Weight | 263.1315 |
| SMILES | O=C(C1=CC2=C(C(Br)=CS2)S1)O |
| Synonyms | 6-Bromothieno[3,2-b]thiophene-2-carboxylic acid,
125493-06-3,
SCHEMBL6811699,
CTK8E5376,
RLUHYSKWVZFEOE-UHFFFAOYSA-N,
MFCD20529149,
ZINC71186824,
AKOS015835737,
MCULE-6724548943,
AC-29918,
CS-12487,
SY059705,
TX-012639,
MFCD20529149 (95%),
Z1591784796,
35150-22-2,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.123g/mol |
| Monoisotopic Mass | 261.876g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 93.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number