| CAS Number | 1803589-82-3 |
| Catalog Number | AG01BE9V |
| Chemical Name | 2,2,2-Trichloro-1-[1-(thiophen-2-ylmethyl)-1h-pyrrol-2-yl]ethan-1-one |
| IUPAC Name | 2,2,2-trichloro-1-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]ethanone |
| InChI | InChI=1S/C11H8Cl3NOS/c12-11(13,14)10(16)9-4-1-5-15(9)7-8-3-2-6-17-8/h1-6H,7H2 |
| InChI Key | QLXQRQZIVQRFEE-UHFFFAOYSA-N |
| MDL Number | MFCD28064031 |
| Molecular Formula | C11H8Cl3NOS |
| Molecular Weight | 308.6113 |
| SMILES | ClC(C(C1N(CC2SC=CC=2)C=CC=1)=O)(Cl)Cl |
| Synonyms | 2,2,2-trichloro-1-[1-(thiophen-2-ylmethyl)-1H-pyrrol-2-yl]ethan-1-one,
1803589-82-3,
ZINC98095604,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.601g/mol |
| Monoisotopic Mass | 306.939g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number