| CAS Number | 1379347-49-5 |
| Catalog Number | AG01A119(AGN-PC-0WODOM) |
| Chemical Name | Methyl 5-amino-4-bromothiophene-2-carboxylate |
| IUPAC Name | methyl 5-amino-4-bromothiophene-2-carboxylate |
| InChI | InChI=1S/C6H6BrNO2S/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,8H2,1H3 |
| InChI Key | RYHZBKZOGZTSDD-UHFFFAOYSA-N |
| MDL Number | MFCD18910335 |
| Molecular Formula | C6H6BrNO2S |
| Molecular Weight | 236.0863 |
| SMILES | O=C(C1=CC(Br)=C(N)S1)OC |
| Synonyms | methyl 5-amino-4-bromothiophene-2-carboxylate,
1379347-49-5,
ZINC78878680,
AKOS023810348,
MCULE-8184074995,
NE16413,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.083g/mol |
| Monoisotopic Mass | 234.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number