| CAS Number | 868237-99-4 |
| Catalog Number | AG019OK2 |
| Chemical Name | 1-Benzyl-5-chloro-2-(chloromethyl)-1h-benzimidazole |
| IUPAC Name | 1-benzyl-5-chloro-2-(chloromethyl)benzimidazole |
| InChI | InChI=1S/C15H12Cl2N2/c16-9-15-18-13-8-12(17)6-7-14(13)19(15)10-11-4-2-1-3-5-11/h1-8H,9-10H2 |
| InChI Key | IUYACORPGJFNBI-UHFFFAOYSA-N |
| MDL Number | MFCD07343847 |
| Molecular Formula | C15H12Cl2N2 |
| Molecular Weight | 291.1752 |
| SMILES | ClCC1N(CC2=CC=CC=C2)C2=C(C=C(C=C2)Cl)N=1 |
| Synonyms | 1-benzyl-5-chloro-2-(chloromethyl)-1H-1,3-benzodiazole,
868237-99-4,
EN300-14229,
1-benzyl-5-chloro-2-(chloromethyl)benzimidazole,
ZINC03888492,
CID7063809,
1-benzyl-5-chloro-2-(chloromethyl)-1H-benzimidazole,
AC1OEVEW,
AC1Q3U4S,
CTK6H6904,
ZINC3888492,
AKOS009029027,
MCULE-3334566215,
NE36791,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.175g/mol |
| Monoisotopic Mass | 290.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number