| CAS Number | 57981-52-9 |
| Catalog Number | AG00EKLS(AGN-PC-0WA6E7) |
| Chemical Name | 2-Chloro-4-(4-ethylpiperazino)benzaldehyde |
| IUPAC Name | 2-chloro-4-(4-ethylpiperazin-1-yl)benzaldehyde |
| InChI | InChI=1S/C13H17ClN2O/c1-2-15-5-7-16(8-6-15)12-4-3-11(10-17)13(14)9-12/h3-4,9-10H,2,5-8H2,1H3 |
| InChI Key | REWATPFLHMTAPG-UHFFFAOYSA-N |
| MDL Number | MFCD22375093 |
| Molecular Formula | C13H17ClN2O |
| Molecular Weight | 252.7399 |
| SMILES | CCN1CCN(CC1)c1ccc(c(c1)Cl)C=O |
| Synonyms | 2-Chloro-4-(4-ethylpiperazino)benzaldehyde,
57981-52-9,
2-chloro-4-(4-ethylpiperazin-1-yl)benzaldehyde,
ACMC-209m1v,
SCHEMBL844545,
CTK8B1951,
DTXSID30732443,
REWATPFLHMTAPG-UHFFFAOYSA-N,
ANW-32849,
MFCD22375093,
ZINC85482240,
AKOS026673737,
TC-121594,
V6748,
C13H17ClN2O,
B-8404,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.742g/mol |
| Monoisotopic Mass | 252.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number