| CAS Number | 1036380-75-2 |
| Catalog Number | AG003A4M(AGN-PC-077DRF) |
| Chemical Name | Methyl 3-amino-5-bromobenzo[b]thiophene-2-carboxylate |
| IUPAC Name | methyl 3-amino-5-bromo-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C10H8BrNO2S/c1-14-10(13)9-8(12)6-4-5(11)2-3-7(6)15-9/h2-4H,12H2,1H3 |
| InChI Key | WJWGIMBQYSUCBO-UHFFFAOYSA-N |
| MDL Number | MFCD13689055 |
| Molecular Formula | C10H8BrNO2S |
| Molecular Weight | 286.1450 |
| SMILES | NC=1C2=C(SC1C(=O)OC)C=CC(=C2)Br |
| Synonyms | Methyl 3-amino-5-bromobenzo[b]thiophene-2-carboxylate,
1036380-75-2,
methyl 3-amino-5-bromo-1-benzothiophene-2-carboxylate,
SCHEMBL2063949,
DTXSID70659286,
WJWGIMBQYSUCBO-UHFFFAOYSA-N,
ZINC91302153,
AM807840,
DA-19147,
AB0047059,
AJ-130281,
CS-0039503,
FT-0717436,
W-4588,
3-Amino-5-bromo-benzo[b]thiophene-2-carboxylic acid methyl ester,
3-Amino-5-bromobenzo[b]thiophene-2-carboxylic acid methyl ester,
|
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number