| CAS Number | 1609404-10-5 |
| Catalog Number | AG00J3WB(AGN-PC-0WRAZZ) |
| Chemical Name | 2-(3-(1H-Imidazol-1-yl)propoxy)-5-chlorobenzaldehyde hydrochloride |
| IUPAC Name | 5-chloro-2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride |
| InChI | InChI=1S/C13H13ClN2O2.ClH/c14-12-2-3-13(11(8-12)9-17)18-7-1-5-16-6-4-15-10-16;/h2-4,6,8-10H,1,5,7H2;1H |
| InChI Key | PVXZDIBGKURKHM-UHFFFAOYSA-N |
| MDL Number | MFCD13186596 |
| Molecular Formula | C13H14Cl2N2O2 |
| Molecular Weight | 301.1685 |
| SMILES | N1C=CN(CCCOC2=CC=C(C=C2C=O)Cl)C=1.Cl |
| Synonyms | 1609404-10-5,
5-Chloro-2-[3-(1H-imidazol-1-yl)propoxy]benzaldehyde hydrochloride,
2-(3-(1H-Imidazol-1-yl)propoxy)-5-chlorobenzaldehyde hydrochloride,
ZX-CM017637,
MFCD13186596,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.167g/mol |
| Monoisotopic Mass | 300.043g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number