| CAS Number | 1603172-68-4 |
| Catalog Number | AG01DTTC |
| Chemical Name | Methyl 6-iodopyrazine-2-carboxylate |
| IUPAC Name | methyl 6-iodopyrazine-2-carboxylate |
| InChI | InChI=1S/C6H5IN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3 |
| InChI Key | KSNWVEBQMJXUDK-UHFFFAOYSA-N |
| MDL Number | MFCD31618010 |
| Molecular Formula | C6H5IN2O2 |
| Molecular Weight | 264.0206 |
| SMILES | O=C(OC)C1=NC(I)=CN=C1 |
| Synonyms | methyl 6-iodopyrazine-2-carboxylate,
1603172-68-4,
AS-62427,
CS-0097624,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.93957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.02g/mol |
| Monoisotopic Mass | 263.93957g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number