| CAS Number | 1021017-88-8 |
| Catalog Number | AG019UWS |
| Chemical Name | 2-Chloro-6-(4-methylpiperazin-1-yl)benzaldehyde |
| IUPAC Name | 2-chloro-6-(4-methylpiperazin-1-yl)benzaldehyde |
| InChI | InChI=1S/C12H15ClN2O/c1-14-5-7-15(8-6-14)12-4-2-3-11(13)10(12)9-16/h2-4,9H,5-8H2,1H3 |
| InChI Key | BQHVREUDZHLVSI-UHFFFAOYSA-N |
| MDL Number | MFCD11156350 |
| Molecular Formula | C12H15ClN2O |
| Molecular Weight | 238.7133 |
| SMILES | CN1CCN(C2=C(C=O)C(Cl)=CC=C2)CC1 |
| Synonyms | 2-chloro-6-(4-methylpiperazin-1-yl)benzaldehyde,
1021017-88-8,
AC1Q3ZTW,
CTK7H8108,
ZINC20078923,
AKOS000260582,
MCULE-4176075767,
NE34323,
EN300-43079,
|
| Complexity | 241 |
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number