| CAS Number | 923242-15-3 |
| Catalog Number | AG019K8W |
| Chemical Name | 2-[4-(2-chloroacetyl)piperazin-1-yl]-2-(thiophen-2-yl)acetonitrile |
| IUPAC Name | 2-[4-(2-chloroacetyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile |
| InChI | InChI=1S/C12H14ClN3OS/c13-8-12(17)16-5-3-15(4-6-16)10(9-14)11-2-1-7-18-11/h1-2,7,10H,3-6,8H2 |
| InChI Key | AKIVUJWQRCKKEV-UHFFFAOYSA-N |
| MDL Number | MFCD08691164 |
| Molecular Formula | C12H14ClN3OS |
| Molecular Weight | 283.7771 |
| SMILES | ClCC(N1CCN(C(C2SC=CC=2)C#N)CC1)=O |
| Synonyms | 2-[4-(2-chloroacetyl)piperazin-1-yl]-2-(thiophen-2-yl)acetonitrile,
[4-(chloroacetyl)piperazin-1-yl](thien-2-yl)acetonitrile,
EN300-25982,
923242-15-3,
AC1Q3TER,
CTK8F2509,
AKOS030685943,
MCULE-9924644443,
NE38203,
UPCMLD0ENAT5666507:001,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.774g/mol |
| Monoisotopic Mass | 283.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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