| CAS Number | 940656-93-9 |
| Catalog Number | AG01AJXZ |
| Chemical Name | 2-(2-chloro-6-fluorophenyl)-1H-1,3-benzodiazole |
| IUPAC Name | 2-(2-chloro-6-fluorophenyl)-1H-benzimidazole |
| InChI | InChI=1S/C13H8ClFN2/c14-8-4-3-5-9(15)12(8)13-16-10-6-1-2-7-11(10)17-13/h1-7H,(H,16,17) |
| InChI Key | ZLRTXCHFIYZEMI-UHFFFAOYSA-N |
| MDL Number | MFCD00119889 |
| Molecular Formula | C13H8ClFN2 |
| Molecular Weight | 246.6674 |
| SMILES | FC1=C(C2NC3=C(C=CC=C3)N=2)C(Cl)=CC=C1 |
| Synonyms | 2-(2-chloro-6-fluorophenyl)-1H-1,3-benzodiazole,
940656-93-9,
STL305256,
ZINC37400362,
AKOS003029180,
MCULE-5640113633,
NE38800,
EN300-82213,
2-(2-chloro-6-fluorophenyl)-1H-benzimidazole,
Z666467410,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.669g/mol |
| Monoisotopic Mass | 246.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number