| CAS Number | 1545791-31-8 |
| Catalog Number | AG01AM7O |
| Chemical Name | 1-benzyl-6-chloro-1H-1,3-benzodiazol-2-amine |
| IUPAC Name | 1-benzyl-6-chlorobenzimidazol-2-amine |
| InChI | InChI=1S/C14H12ClN3/c15-11-6-7-12-13(8-11)18(14(16)17-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,17) |
| InChI Key | XRWYYFRAQIXZJP-UHFFFAOYSA-N |
| MDL Number | MFCD23661174 |
| Molecular Formula | C14H12ClN3 |
| Molecular Weight | 257.7182 |
| SMILES | NC1N(CC2=CC=CC=C2)C2=C(C=CC(=C2)Cl)N=1 |
| Synonyms | 1-benzyl-6-chloro-1H-1,3-benzodiazol-2-amine,
1545791-31-8,
AKOS033806068,
ZINC124929744,
Z2217033081,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.721g/mol |
| Monoisotopic Mass | 257.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number