| CAS Number | 332099-09-9 |
| Catalog Number | AG01DTE0(AGN-PC-03T74F) |
| Chemical Name | 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
| IUPAC Name | 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
| InChI | InChI=1S/C7H4BrNO2S/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11) |
| InChI Key | OFYWMXKWLYRDTQ-UHFFFAOYSA-N |
| MDL Number | MFCD19687607 |
| Molecular Formula | C7H4BrNO2S |
| Molecular Weight | 246.0812 |
| SMILES | Brc1sc2c(c1)[nH]c(c2)C(=O)O |
| Synonyms | 2-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid,
332099-09-9,
SCHEMBL1244150,
OFYWMXKWLYRDTQ-UHFFFAOYSA-N,
AKOS023412011,
CS-0080386,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.078g/mol |
| Monoisotopic Mass | 244.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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