| CAS Number | 1155287-27-6 |
| Catalog Number | AG000G3I(AGN-PC-0WBQG3) |
| Chemical Name | Methyl 2-amino-4-bromobenzo[d]thiazole-6-carboxylate |
| IUPAC Name | methyl 2-amino-4-bromo-1,3-benzothiazole-6-carboxylate |
| InChI | InChI=1S/C9H7BrN2O2S/c1-14-8(13)4-2-5(10)7-6(3-4)15-9(11)12-7/h2-3H,1H3,(H2,11,12) |
| InChI Key | IKKRGORQBKUVHQ-UHFFFAOYSA-N |
| MDL Number | MFCD27959303 |
| Molecular Formula | C9H7BrN2O2S |
| Molecular Weight | 287.1331 |
| SMILES | O=C(C1=CC(Br)=C2N=C(N)SC2=C1)OC |
| Synonyms | 1155287-27-6,
Methyl 2-amino-4-bromobenzo[d]thiazole-6-carboxylate,
2-Amino-4-bromo-benzothiazole-6-carboxylic Acid Methyl Ester,
SCHEMBL2920222,
IKKRGORQBKUVHQ-UHFFFAOYSA-N,
ZINC98181026,
AKOS024261396,
AJ-142132,
F2184-0237,
6-Benzothiazolecarboxylic acid, 2-amino-4-bromo-, methyl ester,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.131g/mol |
| Monoisotopic Mass | 285.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number