| CAS Number | 77133-21-2 |
| Catalog Number | AG01A1MT(AGN-PC-0WO587) |
| Chemical Name | 4-Bromo-5-methoxythiophene-2-carbaldehyde |
| IUPAC Name | 4-bromo-5-methoxythiophene-2-carbaldehyde |
| InChI | InChI=1S/C6H5BrO2S/c1-9-6-5(7)2-4(3-8)10-6/h2-3H,1H3 |
| InChI Key | VCUVVHCEXSTWFK-UHFFFAOYSA-N |
| MDL Number | MFCD22421897 |
| Molecular Formula | C6H5BrO2S |
| Molecular Weight | 221.0717 |
| SMILES | COC1=C(Br)C=C(C=O)S1 |
| Synonyms | 4-bromo-5-methoxythiophene-2-carbaldehyde,
77133-21-2,
SCHEMBL2145031,
VCUVVHCEXSTWFK-UHFFFAOYSA-N,
3-bromo-5-formyl-2-methoxythiophene,
ZINC82164225,
AKOS022653953,
NE16951,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.068g/mol |
| Monoisotopic Mass | 219.919g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number