| CAS Number | 1440526-53-3 |
| Catalog Number | AG01DLZU |
| Chemical Name | Methyl 2-Bromobenzo[d]Thiazole-4-Carboxylate |
| IUPAC Name | methyl 2-bromo-1,3-benzothiazole-4-carboxylate |
| InChI | InChI=1S/C9H6BrNO2S/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3 |
| InChI Key | SBNMAHJUEAVMLH-UHFFFAOYSA-N |
| MDL Number | MFCD22690014 |
| Molecular Formula | C9H6BrNO2S |
| Molecular Weight | 272.1184 |
| SMILES | BrC=1SC=2C(N1)=C(C=CC2)C(=O)OC |
| Synonyms | METHYL 2-BROMOBENZO[D]THIAZOLE-4-CARBOXYLATE,
1440526-53-3,
ZINC91692297,
AKOS027252088,
Z-9133,
methyl 2-bromo-1,3-benzothiazole-4-carboxylate,
2-Bromo-benzothiazole-4-carboxylic acid methyl ester,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.116g/mol |
| Monoisotopic Mass | 270.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number