| CAS Number | 1369353-77-4 |
| Catalog Number | AG01BH2D |
| Chemical Name | 2-Bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-one |
| IUPAC Name | 2-bromo-5,6-dihydrocyclopenta[b]thiophen-4-one |
| InChI | InChI=1S/C7H5BrOS/c8-7-3-4-5(9)1-2-6(4)10-7/h3H,1-2H2 |
| InChI Key | YSGWNYYXJIIWDG-UHFFFAOYSA-N |
| MDL Number | MFCD22037360 |
| Molecular Formula | C7H5BrOS |
| Molecular Weight | 217.0830 |
| SMILES | BrC1=CC2=C(S1)CCC2=O |
| Synonyms | 2-bromo-4H,5H,6H-cyclopenta[b]thiophen-4-one,
1369353-77-4,
2-Bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-one,
C7H5BrOS,
ZINC82369408,
AKOS022689911,
Z2217033070,
N/A,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.92445g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.08g/mol |
| Monoisotopic Mass | 215.92445g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number