| CAS Number | 401495-67-8 |
| Catalog Number | AG01FOIA(AGN-PC-00D0C5) |
| Chemical Name | 4-(4-methylpiperazin-1-yl)benzoyl Chloride |
| IUPAC Name | 4-(4-methylpiperazin-1-yl)benzoyl chloride |
| InChI | InChI=1S/C12H15ClN2O/c1-14-6-8-15(9-7-14)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3 |
| InChI Key | QUHFMFPTVRJESL-UHFFFAOYSA-N |
| MDL Number | MFCD20483877 |
| Molecular Formula | C12H15ClN2O |
| Molecular Weight | 238.7133 |
| SMILES | |
| Synonyms | 4-(4-methylpiperazin-1-yl)benzoyl Chloride,
401495-67-8,
Benzoyl chloride, 4-(4-methyl-1-piperazinyl)-,
SCHEMBL62896,
QUHFMFPTVRJESL-UHFFFAOYSA-N,
ZINC35962956,
AKOS030239035,
4-(4-methylpiperazin-1-yl)-benzoyl chloride,
CID11630068,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.715g/mol |
| Monoisotopic Mass | 238.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number