| CAS Number | 16019-34-4 |
| Catalog Number | AG00ABX1(AGN-PC-0044A8) |
| Chemical Name | 7-Benzyl-4-chloro-7H-pyrrolo[2,3-d] pyrimidine |
| IUPAC Name | 7-benzyl-4-chloropyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C13H10ClN3/c14-12-11-6-7-17(13(11)16-9-15-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChI Key | KMWWCJXJJNHTQL-UHFFFAOYSA-N |
| MDL Number | MFCD09953011 |
| Molecular Formula | C13H10ClN3 |
| Molecular Weight | 243.6916 |
| SMILES | c1ccc(cc1)Cn2ccc3c2ncnc3Cl |
| Synonyms | 16019-34-4,
7-Benzyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine,
7-BENZYL-4-CHLORO-7H-PYRROLO[2,3-D] PYRIMIDINE,
9-Benzyl-6-chloro-7-deazapurine,
MFCD09953011,
AMTH011,
SCHEMBL3541053,
DTXSID80569786,
KMWWCJXJJNHTQL-UHFFFAOYSA-N,
KS-00000T9X,
AB3073,
ZINC34494117,
AK187428,
DS-10111,
AB0009257,
4-Chloro-7-benzyl-7H-pyrrolo[2,3-d]pyrimidine,
7-Benzyl-4-chloro-7H-pyrrolo[2.3-d]pyrimidine,
C13H10ClN3,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.694g/mol |
| Monoisotopic Mass | 243.056g/mol |
| Rotatable Bond Count | 2 |
| 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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