| CAS Number | 332099-03-3 |
| Catalog Number | AG01ADZ0(AGN-PC-0N4J3D) |
| Chemical Name | 2-Chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic Acid |
| IUPAC Name | 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid |
| InChI | InChI=1S/C7H4ClNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11) |
| InChI Key | SOGNHUJSAKAIRG-UHFFFAOYSA-N |
| MDL Number | MFCD24479571 |
| Molecular Formula | C7H4ClNO2S |
| Molecular Weight | 201.6302 |
| SMILES | OC(C1NC2=C(C=C(S2)Cl)C=1)=O |
| Synonyms | 2-Chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid,
332099-03-3,
2-Chloranyl-6~{h}-Thieno[2,3-B]pyrrole-5-Carboxylic Acid,
SCHEMBL1243721,
SOGNHUJSAKAIRG-UHFFFAOYSA-N,
ZINC38866729,
AKOS024074099,
5-Carboxy-2-chloro-6H-thieno[2,3-b]pyrrole,
Z2146654159,
6H-Thieno[2,3-b]pyrrole-5-carboxylic acid, 2-chloro- (Related Reference),
5LA,
CID10442820,
3-chloro-4-thia-6-azabicyclo[3.3.0]octa-2,7,9-triene-7-carboxylic Acid,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.624g/mol |
| Monoisotopic Mass | 200.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number