| CAS Number | 870244-28-3 |
| Catalog Number | AG00IEBN(AGN-PC-0V9YSM) |
| Chemical Name | Thieno[2,3-c]pyridine-2-carboxylic acid, 4-bromo-3-methyl-, methylester |
| IUPAC Name | methyl 4-bromo-3-methylthieno[2,3-c]pyridine-2-carboxylate |
| InChI | InChI=1S/C10H8BrNO2S/c1-5-8-6(11)3-12-4-7(8)15-9(5)10(13)14-2/h3-4H,1-2H3 |
| InChI Key | MUOYGRONALMVJQ-UHFFFAOYSA-N |
| MDL Number | MFCD22581460 |
| Molecular Formula | C10H8BrNO2S |
| Molecular Weight | 286.1450 |
| SMILES | COC(=O)c1sc2cncc(Br)c2c1C |
| Synonyms | 870244-28-3,
METHYL 4-BROMO-3-METHYLTHIENO[2,3-C]PYRIDINE-2-CARBOXYLATE,
Methyl 4-bromo-3-methylthieno-[2,3-c]pyridine-2-carboxylate,
SCHEMBL5555765,
MFCD22581460,
ZINC95742670,
AKOS025403884,
PB32053,
KS-000007H9,
AS-51725,
CS-0049046,
Q-4532,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.143g/mol |
| Monoisotopic Mass | 284.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number