| CAS Number | 1193389-68-2 |
| Catalog Number | AG019VSM |
| Chemical Name | 2-(3-Fluorophenyl)-1H-1,3-benzodiazol-5-amine dihydrochloride |
| IUPAC Name | 2-(3-fluorophenyl)-3H-benzimidazol-5-amine;dihydrochloride |
| InChI | InChI=1S/C13H10FN3.2ClH/c14-9-3-1-2-8(6-9)13-16-11-5-4-10(15)7-12(11)17-13;;/h1-7H,15H2,(H,16,17);2*1H |
| InChI Key | NPMSYEOIRMHARY-UHFFFAOYSA-N |
| MDL Number | MFCD12197235 |
| Molecular Formula | C13H12Cl2FN3 |
| Molecular Weight | 300.1589 |
| SMILES | Cl.Cl.NC1=CC2=C(NC(C3=CC(F)=CC=C3)=N2)C=C1 |
| Synonyms | 2-(3-fluorophenyl)-1H-1,3-benzodiazol-5-amine dihydrochloride,
1193389-68-2,
AC1Q3AS3,
CTK7D8504,
AKOS008108225,
MCULE-4455272594,
NE33797,
EN300-49075,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.158g/mol |
| Monoisotopic Mass | 299.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number