| CAS Number | 1052533-75-1 |
| Catalog Number | AG00HALQ(AGN-PC-0WBCUM) |
| Chemical Name | 4-Methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]benzaldehyde Hydrochloride |
| IUPAC Name | 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]benzaldehyde;hydrochloride |
| InChI | InChI=1S/C13H14N2O2.ClH/c1-10-14-5-6-15(10)8-12-7-11(9-16)3-4-13(12)17-2;/h3-7,9H,8H2,1-2H3;1H |
| InChI Key | BCALKMWLCHJPMP-UHFFFAOYSA-N |
| MDL Number | MFCD07344337 |
| Molecular Formula | C13H15ClN2O2 |
| Molecular Weight | 266.7234 |
| SMILES | COc1ccc(cc1Cn1ccnc1C)C=O.Cl |
| Synonyms | 4-Methoxy-3-(2-methyl-imidazol-1-ylmethyl)-benzaldehyde hydrochloride,
1052533-75-1,
MLS000718591,
SMR000290859,
4-Methoxy-3-((2-methyl-1H-imidazol-1-yl)methyl)benzaldehyde hydrochloride,
4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]benzaldehyde hydrochloride,
CHEMBL1561774,
CTK7A6205,
MIX-0530,
ZX-BK001643,
AKOS015846472,
TR-043921,
BB 0240555,
Z-2358,
SR-01000325131,
SR-01000325131-1,
4-Methoxy-3-[(2-methyl-1h-imidazol-1-yl)methyl]benzaldehyde, HCl,
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]benzaldehyde hydrochloride,
4-Methoxy-3-(2-methyl-imidazol-1-ylmethyl)-b enzaldehyde; compound with GENERIC INORGANIC NEUTRAL COMPONENT,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.725g/mol |
| Monoisotopic Mass | 266.082g/mol |
| Rotatable Bond Count | 4 |
| 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