| CAS Number | 1236150-66-5 |
| Catalog Number | AG01BRSC |
| Chemical Name | Methyl 3-amino-7-bromo-1-benzothiophene-2-carboxylate |
| IUPAC Name | methyl 3-amino-7-bromo-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C10H8BrNO2S/c1-14-10(13)9-7(12)5-3-2-4-6(11)8(5)15-9/h2-4H,12H2,1H3 |
| InChI Key | FVPGSXBSQPRCOL-UHFFFAOYSA-N |
| MDL Number | MFCD28348425 |
| Molecular Formula | C10H8BrNO2S |
| Molecular Weight | 286.1450 |
| SMILES | COC(C1=C(N)C2=C(C(=CC=C2)Br)S1)=O |
| Synonyms | methyl 3-amino-7-bromo-1-benzothiophene-2-carboxylate,
1236150-66-5,
AKOS034015048,
ZINC169810901,
OR400500,
Methyl 3-amino-7-bromobenzo[b]thiophene-2-carboxylate,
Z2753057353,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.143g/mol |
| Monoisotopic Mass | 284.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number