| CAS Number | 1381944-80-4 |
| Catalog Number | AG00187G(AGN-PC-0WA6EZ) |
| Chemical Name | 2-Chloro-4-[4-(2-hydroxyethyl)piperazino]benzaldehyde |
| IUPAC Name | 2-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzaldehyde |
| InChI | InChI=1S/C13H17ClN2O2/c14-13-9-12(2-1-11(13)10-18)16-5-3-15(4-6-16)7-8-17/h1-2,9-10,17H,3-8H2 |
| InChI Key | NQXLAWAVTILXMS-UHFFFAOYSA-N |
| MDL Number | MFCD22375092 |
| Molecular Formula | C13H17ClN2O2 |
| Molecular Weight | 268.7393 |
| SMILES | OCCN1CCN(CC1)c1ccc(c(c1)Cl)C=O |
| Synonyms | 2-Chloro-4-[4-(2-hydroxyethyl)piperazino]benzaldehyde,
1381944-80-4,
ACMC-209cgx,
CTK8B0747,
DTXSID20743068,
ANW-20431,
MFCD22375092,
ZINC85477335,
AKOS026673138,
TC-109176,
V2852,
2-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzaldehyde,
Benzaldehyde, 2-chloro-4-[4-(2-hydroxyethyl)-1-piperazinyl]-,
C13H17ClN2O2,
B-8959,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.741g/mol |
| Monoisotopic Mass | 268.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number