| CAS Number | 171827-50-2 |
| Catalog Number | AG01EFNQ |
| Chemical Name | ethyl 2-(2,6-dichloro-9H-purin-9-yl)acetate |
| IUPAC Name | ethyl 2-(2,6-dichloropurin-9-yl)acetate |
| InChI | InChI=1S/C9H8Cl2N4O2/c1-2-17-5(16)3-15-4-12-6-7(10)13-9(11)14-8(6)15/h4H,2-3H2,1H3 |
| InChI Key | CTFNNRKKJAICKH-UHFFFAOYSA-N |
| MDL Number | MFCD30471974 |
| Molecular Formula | C9H8Cl2N4O2 |
| Molecular Weight | 275.0914 |
| SMILES | CCOC(=O)Cn1cnc2c(Cl)nc(Cl)nc12 |
| Synonyms | Ethyl 2-(2,6-dichloro-9H-purin-9-yl)acetate,
171827-50-2,
Ethyl 2,6-dichloro-9H-purine-9-acetate,
SCHEMBL945437,
CHEMBL3234427,
CTFNNRKKJAICKH-UHFFFAOYSA-N,
MFCD30471974,
AKOS030628073,
ZINC114895265,
CS-0039495,
ethyl-2-(2,6-dichloro-9H-purin-9yl)acetate,
ethyl-2-(2,6-dichloro-9H-purin-9-yl)acetate,
2,6-Dichloro-9H-purine-9-acetic acid ethyl ester,
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| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.089g/mol |
| Monoisotopic Mass | 274.002g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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