| CAS Number | 1638760-14-1 |
| Catalog Number | AG00HYXT(AGN-PC-0WOBDJ) |
| Chemical Name | 7-(benzenesulfonyl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidine |
| IUPAC Name | 7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C12H8ClN3O2S/c13-12-14-8-9-6-7-16(11(9)15-12)19(17,18)10-4-2-1-3-5-10/h1-8H |
| InChI Key | IYRRQMRXAJDTQX-UHFFFAOYSA-N |
| MDL Number | MFCD27987384 |
| Molecular Formula | C12H8ClN3O2S |
| Molecular Weight | 293.7288 |
| SMILES | O=S(=O)(c1ccccc1)n1ccc2cnc(Cl)nc21 |
| Synonyms | 1638760-14-1,
2-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine,
7-(benzenesulfonyl)-2-chloro-7H-pyrrolo[2,3-d]pyrimidine,
MFCD27987384,
ZINC252488774,
SB14072,
AS-52104,
CS-0050139,
7-(BENZENESULFONYL)-2-CHLOROPYRROLO[2,3-D]PYRIMIDINE,
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| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.725g/mol |
| Monoisotopic Mass | 293.003g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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