| CAS Number | 2177263-90-8 |
| Catalog Number | AG01FLEA(AGN-PC-3H4B40) |
| Chemical Name | 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| IUPAC Name | 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| InChI | InChI=1S/C6H4ClIN4/c7-6-11-4(9)3-2(8)1-10-5(3)12-6/h1H,(H3,9,10,11,12) |
| InChI Key | SOWBUZGUVMBXGK-UHFFFAOYSA-N |
| MDL Number | MFCD31652567 |
| Molecular Formula | C6H4ClIN4 |
| Molecular Weight | 294.4802 |
| SMILES | Clc1nc(N)c2c(n1)[nH]cc2I |
| Synonyms | 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine,
CS-0080123,
2177263-90-8,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.91692g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.48g/mol |
| Monoisotopic Mass | 293.91692g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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