| CAS Number | 868237-98-3 |
| Catalog Number | AG00IE7V |
| Chemical Name | 1-benzyl-5-chloro-2-(1-chloroethyl)-1H-1,3-benzodiazole |
| IUPAC Name | 1-benzyl-5-chloro-2-(1-chloroethyl)benzimidazole |
| InChI | InChI=1S/C16H14Cl2N2/c1-11(17)16-19-14-9-13(18)7-8-15(14)20(16)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3 |
| InChI Key | RJRLNLPIQPZAFG-UHFFFAOYSA-N |
| MDL Number | MFCD07343846 |
| Molecular Formula | C16H14Cl2N2 |
| Molecular Weight | 305.2018 |
| SMILES | CC(C1N(CC2=CC=CC=C2)C2=C(C=C(C=C2)Cl)N=1)Cl |
| Synonyms | 1-benzyl-5-chloro-2-(1-chloroethyl)-1H-benzimidazole,
1-benzyl-5-chloro-2-(1-chloroethyl)-1H-1,3-benzodiazole,
868237-98-3,
AC1Q2B07,
CTK6H2103,
MFCD07343846,
AKOS001136282,
AKOS016890690,
MCULE-1463123601,
NE21731,
EN300-14230,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.202g/mol |
| Monoisotopic Mass | 304.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number