| CAS Number | 923230-33-5 |
| Catalog Number | AG00GUG7 |
| Chemical Name | 2-[4-(2-chloroacetyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile |
| IUPAC Name | 2-[4-(2-chloroacetyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile |
| InChI | InChI=1S/C14H15ClFN3O/c15-9-14(20)19-7-5-18(6-8-19)13(10-17)11-1-3-12(16)4-2-11/h1-4,13H,5-9H2 |
| InChI Key | DYGLZTYBUDFDHE-UHFFFAOYSA-N |
| MDL Number | MFCD08691134 |
| Molecular Formula | C14H15ClFN3O |
| Molecular Weight | 295.7398 |
| SMILES | N#CC(N1CCN(C(CCl)=O)CC1)C2=CC=C(F)C=C2 |
| Synonyms | [4-(chloroacetyl)piperazin-1-yl](4-fluorophenyl)acetonitrile,
EN300-25908,
923230-33-5,
J-502757,
AC1Q4M05,
CTK8F2508,
AKOS027427187,
MCULE-7568496213,
NE13993,
UPCMLD0ENAT5662395:001,
2-[4-(2-chloroacetyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile,
(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid,
877825-68-8,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.742g/mol |
| Monoisotopic Mass | 295.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number