| CAS Number | 1000409-69-7 |
| Catalog Number | AG01BIPU |
| Chemical Name | Methyl 3-amino-4-bromo-5-phenylthiophene-2-carboxylate |
| IUPAC Name | methyl 3-amino-4-bromo-5-phenylthiophene-2-carboxylate |
| InChI | InChI=1S/C12H10BrNO2S/c1-16-12(15)11-9(14)8(13)10(17-11)7-5-3-2-4-6-7/h2-6H,14H2,1H3 |
| InChI Key | XUOIWXINVKOLFX-UHFFFAOYSA-N |
| MDL Number | MFCD28137934 |
| Molecular Formula | C12H10BrNO2S |
| Molecular Weight | 312.1823 |
| SMILES | COC(C1=C(N)C(Br)=C(C2=CC=CC=C2)S1)=O |
| Synonyms | methyl 3-amino-4-bromo-5-phenylthiophene-2-carboxylate,
1000409-69-7,
SCHEMBL2063549,
XUOIWXINVKOLFX-UHFFFAOYSA-N,
AKOS034056008,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.181g/mol |
| Monoisotopic Mass | 310.962g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number