| CAS Number | 1380310-97-3 |
| Catalog Number | AG00HV7R |
| Chemical Name | 7-(3-FLUOROBENZYL)-4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE |
| IUPAC Name | 4-chloro-7-[(3-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C13H9ClFN3/c14-12-11-4-5-18(13(11)17-8-16-12)7-9-2-1-3-10(15)6-9/h1-6,8H,7H2 |
| InChI Key | MGBJKPXWPRCLBE-UHFFFAOYSA-N |
| MDL Number | MFCD09909400 |
| Molecular Formula | C13H9ClFN3 |
| Molecular Weight | 261.6821 |
| SMILES | FC1=CC(CN2C=CC3=C(Cl)N=CN=C23)=CC=C1 |
| Synonyms | 1380310-97-3,
7-(3-FLUOROBENZYL)-4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDINE,
4-Chloro-7-(3-fluorobenzyl)-7H-pyrrolo[2,3-d]pyrimidine,
AB3761,
MFCD09909400,
ZINC95831094,
AS-44732,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.684g/mol |
| Monoisotopic Mass | 261.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number