| CAS Number | 2007910-59-8 |
| Catalog Number | AG019EYE |
| Chemical Name | 2,4-Dichloro-5-Iodo-7-Methyl-7H-Pyrrolo[2,3-D]Pyrimidine |
| IUPAC Name | 2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C7H4Cl2IN3/c1-13-2-3(10)4-5(8)11-7(9)12-6(4)13/h2H,1H3 |
| InChI Key | QYZQYJPDWDSARB-UHFFFAOYSA-N |
| MDL Number | MFCD30189397 |
| Molecular Formula | C7H4Cl2IN3 |
| Molecular Weight | 327.9372 |
| SMILES | CN2C=C(I)C1=C(Cl)N=C(Cl)N=C12 |
| Synonyms | 2,4-Dichloro-5-iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine,
2007910-59-8,
SCHEMBL14805476,
MFCD30189397,
AKOS030623951,
ZINC220725625,
AX8332743,
CS-0036931,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.883g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.934g/mol |
| Monoisotopic Mass | 326.883g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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