| CAS Number | 924287-65-0 |
| Catalog Number | AG00IMNH(AGN-PC-0BVO2P) |
| Chemical Name | 6-Benzothiazolecarboxylic acid, 2-bromo-4-fluoro-, methyl ester |
| IUPAC Name | methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate |
| InChI | InChI=1S/C9H5BrFNO2S/c1-14-8(13)4-2-5(11)7-6(3-4)15-9(10)12-7/h2-3H,1H3 |
| InChI Key | SGWVZBCLQAXEJM-UHFFFAOYSA-N |
| MDL Number | MFCD23705964 |
| Molecular Formula | C9H5BrFNO2S |
| Molecular Weight | 290.1089 |
| SMILES | O=C(C1=CC(F)=C2N=C(Br)SC2=C1)OC |
| Synonyms | Methyl 2-bromo-4-fluorobenzo[d]thiazole-6-carboxylate,
924287-65-0,
methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate,
SCHEMBL2275524,
SGWVZBCLQAXEJM-UHFFFAOYSA-N,
BCP29291,
MFCD23705964,
ZINC98181031,
ACN-053230,
DS-8748,
AK156014,
AJ-142137,
AX8290391,
CS-0041135,
6-Benzothiazolecarboxylic acid, 2-bromo-4-fluoro-, methyl ester,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.106g/mol |
| Monoisotopic Mass | 288.921g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number