| CAS Number | 1311275-27-0 |
| Catalog Number | AG000VKI(AGN-PC-0WD4I5) |
| Chemical Name | 5H-Pyrrolo[3,2-d]pyrimidine, 7-bromo-2,4-dichloro- |
| IUPAC Name | 7-bromo-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine |
| InChI | InChI=1S/C6H2BrCl2N3/c7-2-1-10-4-3(2)11-6(9)12-5(4)8/h1,10H |
| InChI Key | JGTLHNZGTGLLAD-UHFFFAOYSA-N |
| MDL Number | MFCD11870517 |
| Molecular Formula | C6H2BrCl2N3 |
| Molecular Weight | 266.9102 |
| SMILES | ClC1=C(NC=C2Br)C2=NC(Cl)=N1 |
| Synonyms | 7-Bromo-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine,
1311275-27-0,
SCHEMBL20524214,
CTK6H3819,
ZINC66323440,
AKOS015835826,
AJ-115975,
TR-072515,
5H-Pyrrolo[3,2-d]pyrimidine, 7-bromo-2,4-dichloro-,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.881g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.907g/mol |
| Monoisotopic Mass | 264.881g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number