| CAS Number | 212268-45-6 |
| Catalog Number | AG00BNOO(AGN-PC-00GJAB) |
| Chemical Name | 2-(4-Chloro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)ethan-1-ol |
| IUPAC Name | 2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)ethanol |
| InChI | InChI=1S/C8H8ClN3O/c9-7-6-1-2-12(3-4-13)8(6)11-5-10-7/h1-2,5,13H,3-4H2 |
| InChI Key | JLUACDFRYAAZBB-UHFFFAOYSA-N |
| MDL Number | MFCD09909368 |
| Molecular Formula | C8H8ClN3O |
| Molecular Weight | 197.6216 |
| SMILES | OCCn1ccc2c1ncnc2Cl |
| Synonyms | 212268-45-6,
2-(4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)ETHANOL,
2-(4-Chloro-7h-pyrrolo[2,3-d]pyrimidin-7-yl)ethan-1-ol,
2-{4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}ethan-1-ol,
MFCD09909368,
ZINC36448550,
AKOS006314302,
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-7-ethanol,
2- ethanol,
CID11805674,
2-(5-chloro-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)ethanol,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.622g/mol |
| Monoisotopic Mass | 197.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number