| CAS Number | 1216229-49-0 |
| Catalog Number | AG00VTXX(AGN-PC-0WBKMC) |
| Chemical Name | (5-Bromothiophen-2-yl)(cyclopropyl)methanone |
| IUPAC Name | (5-bromothiophen-2-yl)-cyclopropylmethanone |
| InChI | InChI=1S/C8H7BrOS/c9-7-4-3-6(11-7)8(10)5-1-2-5/h3-5H,1-2H2 |
| InChI Key | NKDKZIALCHFNBM-UHFFFAOYSA-N |
| MDL Number | MFCD12786026 |
| Molecular Formula | C8H7BrOS |
| Molecular Weight | 231.1096 |
| SMILES | BrC1SC(C(C2CC2)=O)=CC=1 |
| Synonyms | (5-bromothiophen-2-yl)(cyclopropyl)methanone,
1216229-49-0,
MFCD12786026,
ZINC36162375,
AKOS010338230,
MCULE-5419468588,
NE24305,
NS-02987,
Z1778350420,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.107g/mol |
| Monoisotopic Mass | 229.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number