| CAS Number | 1820666-74-7 |
| Catalog Number | AG00I0QR |
| Chemical Name | 5,6-Dibromo-3H,7H-pyrrolo[2,3-d]pyrimidin-4-one |
| IUPAC Name | 5,6-dibromo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one |
| InChI | InChI=1S/C6H3Br2N3O/c7-3-2-5(11-4(3)8)9-1-10-6(2)12/h1H,(H2,9,10,11,12) |
| InChI Key | SUVOHPCJKFUIEL-UHFFFAOYSA-N |
| MDL Number | MFCD27578168 |
| Molecular Formula | C6H3Br2N3O |
| Molecular Weight | 292.9155 |
| SMILES | Brc1[nH]c2c(c1Br)c(=O)[nH]cn2 |
| Synonyms | 5,6-Dibromo-3H,7H-pyrrolo[2,3-d]pyrimidin-4-one,
1820666-74-7,
C6H3Br2N3O,
5,6-Dibromo-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one,
ZINC97743314,
Y2788,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.862g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.918g/mol |
| Monoisotopic Mass | 290.864g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 57.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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