| CAS Number | 403860-08-2 |
| Catalog Number | AG01DWES(AGN-PC-0LUUQ3) |
| Chemical Name | methyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| IUPAC Name | methyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| InChI | InChI=1S/C8H6ClNO2S/c1-12-8(11)5-2-6-4(10-5)3-7(9)13-6/h2-3,10H,1H3 |
| InChI Key | QETCAFYGBABJCO-UHFFFAOYSA-N |
| MDL Number | MFCD14796029 |
| Molecular Formula | C8H6ClNO2S |
| Molecular Weight | 215.6567 |
| SMILES | COC(C1NC2=C(SC(=C2)Cl)C=1)=O |
| Synonyms | methyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate,
403860-08-2,
ChemDiv3_010968,
AC1O7VJB,
HMS1504C12,
ZINC5135016,
AKOS001874927,
IDI1_028526,
CS-0080388,
SR-01000099734,
SR-01000099734-1,
BRD-K69081876-001-01-2,
CID6623194,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.651g/mol |
| Monoisotopic Mass | 214.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number