| CAS Number | 1151512-25-2 |
| Catalog Number | AG009M6S(AGN-PC-0WOLHN) |
| Chemical Name | 4-Bromothieno[2,3-c]pyridine-2-carboxylic acid |
| IUPAC Name | 4-bromothieno[2,3-c]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H4BrNO2S/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12/h1-3H,(H,11,12) |
| InChI Key | BGKJZKJDJZNFMI-UHFFFAOYSA-N |
| MDL Number | MFCD11846918 |
| Molecular Formula | C8H4BrNO2S |
| Molecular Weight | 258.0919 |
| SMILES | BrC1=C2C(=CN=C1)SC(=C2)C(=O)O |
| Synonyms | 4-Bromothieno[2,3-c]pyridine-2-carboxylic acid,
1151512-25-2,
SCHEMBL15910879,
ZINC87493397,
AKOS022936197,
CM10776,
AS-67025,
SC-30987,
Y5812,
Thieno[2,3-c]pyridine-2-carboxylic acid, 4-bromo-,
Z2465619946,
C8H4BrNO2S,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.91461g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.09g/mol |
| Monoisotopic Mass | 256.91461g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number