| CAS Number | 851443-15-7 |
| Catalog Number | AG01C64M(AGN-PC-0OJONG) |
| Chemical Name | Ethyl 5-amino-4-bromo-3-methylthiophene-2-carboxylate |
| IUPAC Name | ethyl 5-amino-4-bromo-3-methylthiophene-2-carboxylate |
| InChI | InChI=1S/C8H10BrNO2S/c1-3-12-8(11)6-4(2)5(9)7(10)13-6/h3,10H2,1-2H3 |
| InChI Key | PMPBGORMHXRHRT-UHFFFAOYSA-N |
| MDL Number | MFCD29037858 |
| Molecular Formula | C8H10BrNO2S |
| Molecular Weight | 264.1395 |
| SMILES | NC1=C(C(=C(S1)C(=O)OCC)C)Br |
| Synonyms | ethyl 5-amino-4-bromo-3-methylthiophene-2-carboxylate,
851443-15-7,
AKOS025312629,
ZINC215979044,
F1904-0066,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.137g/mol |
| Monoisotopic Mass | 262.962g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number