| CAS Number | 854625-94-8 |
| Catalog Number | AG00GF85(AGN-PC-0KKOM6) |
| Chemical Name | 3-Iodo-4-methylthiophene-2-carboxylic acid |
| IUPAC Name | 3-iodo-4-methylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H5IO2S/c1-3-2-10-5(4(3)7)6(8)9/h2H,1H3,(H,8,9) |
| InChI Key | JTRJCSFZFUUXPF-UHFFFAOYSA-N |
| MDL Number | MFCD27930041 |
| Molecular Formula | C6H5IO2S |
| Molecular Weight | 268.0722 |
| SMILES | CC1C(I)=C(C(O)=O)SC=1 |
| Synonyms | 3-iodo-4-methylthiophene-2-carboxylic acid,
854625-94-8,
AC1MC4UA,
SCHEMBL398932,
CTK7J1463,
JTRJCSFZFUUXPF-UHFFFAOYSA-N,
ZINC4290567,
AKOS024261415,
MCULE-2296478728,
NE17256,
AJ-50328,
2-Thiophenecarboxylic acid, 3-iodo-4-methyl-,
Z1809367610,
CID2761391,
3-iodo-4-methyl-thiophene-2-carboxylic Acid,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.905g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.068g/mol |
| Monoisotopic Mass | 267.905g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number