| CAS Number | 1375301-68-0 |
| Catalog Number | AG00IM8P(AGN-PC-0WR8VB) |
| Chemical Name | 2-Chloro-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine |
| IUPAC Name | 2-chloro-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine |
| InChI | InChI=1S/C7H6ClN3O/c1-12-6-5-4(2-3-9-5)10-7(8)11-6/h2-3,9H,1H3 |
| InChI Key | ZBENDTMQTJADBK-UHFFFAOYSA-N |
| MDL Number | MFCD21605181 |
| Molecular Formula | C7H6ClN3O |
| Molecular Weight | 183.5950 |
| SMILES | COC1=C2C(C=CN2)=NC(Cl)=N1 |
| Synonyms | 2-Chloro-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine,
1375301-68-0,
2-chloro-4-methoxy-7H-pyrrolo[3,4-d]pyrimidine,
CS-13277,
CS-0040501,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.595g/mol |
| Monoisotopic Mass | 183.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number