| CAS Number | 1016491-13-6 |
| Catalog Number | AG01AAGX |
| Chemical Name | 1-(2-Chloro-6-fluorobenzoyl)piperazine |
| IUPAC Name | (2-chloro-6-fluorophenyl)-piperazin-1-ylmethanone |
| InChI | InChI=1S/C11H12ClFN2O/c12-8-2-1-3-9(13)10(8)11(16)15-6-4-14-5-7-15/h1-3,14H,4-7H2 |
| InChI Key | MMVJFVUMQOZFQB-UHFFFAOYSA-N |
| MDL Number | MFCD09803921 |
| Molecular Formula | C11H12ClFN2O |
| Molecular Weight | 242.6772 |
| SMILES | FC1=C(C(N2CCNCC2)=O)C(Cl)=CC=C1 |
| Synonyms | 1-(2-chloro-6-fluorobenzoyl)piperazine,
1016491-13-6,
1-[(2-chloro-6-fluorophenyl)carbonyl]piperazine,
AC1Q4KZ1,
CTK7C2158,
ZINC19267897,
AKOS000154329,
MCULE-5764209096,
NE34722,
EN300-68580,
Z1263602455,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.678g/mol |
| Monoisotopic Mass | 242.062g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number