| CAS Number | 845878-92-4 |
| Catalog Number | AG01B17R |
| Chemical Name | METHYL 3-IODO-4-METHYLTHIOPHENE-2-CARBOXYLATE |
| IUPAC Name | methyl 3-iodo-4-methylthiophene-2-carboxylate |
| InChI | InChI=1S/C7H7IO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,1-2H3 |
| InChI Key | OODUKIXZHDMZME-UHFFFAOYSA-N |
| MDL Number | MFCD06657984 |
| Molecular Formula | C7H7IO2S |
| Molecular Weight | 282.0987 |
| SMILES | COC(=O)c1scc(c1I)C |
| Synonyms | methyl 3-iodo-4-methylthiophene-2-carboxylate,
845878-92-4,
AC1MC4F2,
SCHEMBL397136,
OODUKIXZHDMZME-UHFFFAOYSA-N,
ZINC4290344,
AKOS024388250,
FS-4385,
MCULE-4327051538,
NE29926,
DA-02896,
FT-0762919,
ST51042196,
Z1741965210,
2-Thiophenecarboxylic acid, 3-iodo-4-methyl-, methyl ester,
methyl 3-iodo-4-methylthiophene-2-carboxylate, AldrichCPR,
ZINC04290344,
CID2761204,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.095g/mol |
| Monoisotopic Mass | 281.921g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number