| CAS Number | 51420-30-5 |
| Catalog Number | AG006W7R(AGN-PC-0WA6E9) |
| Chemical Name | 2-Chloro-4-(4-methylpiperazino)benzaldehyde |
| IUPAC Name | 2-chloro-4-(4-methylpiperazin-1-yl)benzaldehyde |
| InChI | InChI=1S/C12H15ClN2O/c1-14-4-6-15(7-5-14)11-3-2-10(9-16)12(13)8-11/h2-3,8-9H,4-7H2,1H3 |
| InChI Key | JHKAOEWIJKITLH-UHFFFAOYSA-N |
| MDL Number | MFCD22375094 |
| Molecular Formula | C12H15ClN2O |
| Molecular Weight | 238.7133 |
| SMILES | CN1CCN(C2=CC(Cl)=C(C=O)C=C2)CC1 |
| Synonyms | 2-Chloro-4-(4-methylpiperazino)benzaldehyde,
51420-30-5,
ACMC-209ktn,
2-chloro-4-(4-methylpiperazin-1-yl)benzaldehyde,
CTK8B1797,
DTXSID30732968,
ANW-31257,
MFCD22375094,
ZINC85482141,
AKOS026673711,
TC-120002,
V6325,
B-8960,
C12H15ClN2O,
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| 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
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Certificate of Analysis
Lot Number