| CAS Number | 1430836-42-2 |
| Catalog Number | AG00ISDG(AGN-PC-0WAZIO) |
| Chemical Name | 2-Bromothieno[3,2-b]pyridine-7-carboxylic acid |
| IUPAC Name | 2-bromothieno[3,2-b]pyridine-7-carboxylic acid |
| InChI | InChI=1S/C8H4BrNO2S/c9-6-3-5-7(13-6)4(8(11)12)1-2-10-5/h1-3H,(H,11,12) |
| InChI Key | RPNPZQLOXLYJMX-UHFFFAOYSA-N |
| MDL Number | MFCD24038189 |
| Molecular Formula | C8H4BrNO2S |
| Molecular Weight | 258.0919 |
| SMILES | [Br]C=1(SC2(=C(C(=O)O)C=CN=C2(C=1))) |
| Synonyms | 2-bromothieno[3,2-b]pyridine-7-carboxylic acid,
1430836-42-2,
ZX-RL000750,
MFCD24038189,
ZINC91294500,
AKOS015996944,
FCH2336708,
FG-0049,
MCULE-2784337503,
KS-00001Q40,
OR303258,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.089g/mol |
| Monoisotopic Mass | 256.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number