| CAS Number | 66600-13-3 |
| Catalog Number | AG00FG9A(AGN-PC-0WH61I) |
| Chemical Name | 1,3-Bis([1,1’-Biphenyl]-4-ylphenylmethyl)-1H-imidazolium Chloride |
| IUPAC Name | 1,3-bis[phenyl-(4-phenylphenyl)methyl]imidazol-1-ium;chloride |
| InChI | InChI=1S/C41H33N2.ClH/c1-5-13-32(14-6-1)34-21-25-38(26-22-34)40(36-17-9-3-10-18-36)42-29-30-43(31-42)41(37-19-11-4-12-20-37)39-27-23-35(24-28-39)33-15-7-2-8-16-33;/h1-31,40-41H;1H/q+1;/p-1 |
| InChI Key | LMONFRGCFWNVQZ-UHFFFAOYSA-M |
| MDL Number | MFCD27967083 |
| Molecular Formula | C41H33ClN2 |
| Molecular Weight | 589.1671 |
| SMILES | [Cl-].c1ccc(cc1)C(c2ccc(cc2)c3ccccc3)[n+]4ccn(c4)C(c5ccccc5)c6ccc(cc6)c7ccccc7 |
| Synonyms | 66600-13-3,
SCHEMBL11332066,
1,3-Bis[(biphenyl-4-yl)phenylmethyl]-1H-imidazolium Chloride,
1,3-bis[phenyl-(4-phenylphenyl)methyl]imidazol-1-ium;chloride,
Bifonazole Impurity D,
|
| Complexity | 719 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 588.233g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 589.179g/mol |
| Monoisotopic Mass | 588.233g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 8.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number