| CAS Number | 110545-69-2 |
| Catalog Number | AG01FMYQ(AGN-PC-00O2F0) |
| Chemical Name | 3-Bromo-4-methoxythiophene |
| IUPAC Name | 3-bromo-4-methoxythiophene |
| InChI | InChI=1S/C5H5BrOS/c1-7-5-3-8-2-4(5)6/h2-3H,1H3 |
| InChI Key | QEZGHSDUCNIDFZ-UHFFFAOYSA-N |
| MDL Number | MFCD25955496 |
| Molecular Formula | C5H5BrOS |
| Molecular Weight | 193.0616 |
| SMILES | COc1cscc1Br |
| Synonyms | 3-bromo-4-methoxythiophene,
110545-69-2,
SCHEMBL2976498,
QEZGHSDUCNIDFZ-UHFFFAOYSA-N,
CS-0058286,
|
| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.058g/mol |
| Monoisotopic Mass | 191.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number