| CAS Number | 88770-20-1 |
| Catalog Number | AG00H494(AGN-PC-09VRM7) |
| Chemical Name | Methyl 5-iodothiophene-3-carboxylate |
| IUPAC Name | methyl 5-iodothiophene-3-carboxylate |
| InChI | InChI=1S/C6H5IO2S/c1-9-6(8)4-2-5(7)10-3-4/h2-3H,1H3 |
| InChI Key | ACAMEEQCWLGHQW-UHFFFAOYSA-N |
| MDL Number | MFCD23722994 |
| Molecular Formula | C6H5IO2S |
| Molecular Weight | 268.0722 |
| SMILES | COC(=O)C1=CSC(=C1)I |
| Synonyms | Methyl 5-iodothiophene-3-carboxylate,
88770-20-1,
5-Iodo-thiophene-3-carboxylic acid methyl ester,
SCHEMBL15057183,
ACAMEEQCWLGHQW-UHFFFAOYSA-N,
MFCD23722994,
ZINC69592172,
AKOS017385607,
MCULE-5638542501,
FT-0724596,
3-Thiophenecarboxylic acid, 5-iodo-, methyl ester,
Z1153249243,
|
| Complexity | 140 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.068g/mol |
| Monoisotopic Mass | 267.905g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number