| CAS Number | 1609409-04-2 |
| Catalog Number | AG00J409(AGN-PC-0WRB0H) |
| Chemical Name | 4-[2-(1H-Imidazol-1-yl)ethoxy]benzaldehyde hydrochloride |
| IUPAC Name | 4-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride |
| InChI | InChI=1S/C12H12N2O2.ClH/c15-9-11-1-3-12(4-2-11)16-8-7-14-6-5-13-10-14;/h1-6,9-10H,7-8H2;1H |
| InChI Key | HOYKXDHAQCEAKB-UHFFFAOYSA-N |
| MDL Number | MFCD13186628 |
| Molecular Formula | C12H13ClN2O2 |
| Molecular Weight | 252.6968 |
| SMILES | Cl.N1(C=NC=C1)CCOC1=CC=C(C=O)C=C1 |
| Synonyms | 4-[2-(1H-Imidazol-1-yl)ethoxy]benzaldehyde hydrochloride,
1609409-04-2,
ZX-CM018070,
MFCD13186628,
205371-43-3,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.698g/mol |
| Monoisotopic Mass | 252.067g/mol |
| Rotatable Bond Count | 5 |
| 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