| CAS Number | 1172291-64-3 |
| Catalog Number | AG019V8X |
| Chemical Name | 2-[(2-Fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine dihydrochloride |
| IUPAC Name | 2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-amine;dihydrochloride |
| InChI | InChI=1S/C14H12FN3.2ClH/c15-11-4-2-1-3-9(11)7-14-17-12-6-5-10(16)8-13(12)18-14;;/h1-6,8H,7,16H2,(H,17,18);2*1H |
| InChI Key | VJBKNBFQJFMRBD-UHFFFAOYSA-N |
| MDL Number | MFCD12197075 |
| Molecular Formula | C14H14Cl2FN3 |
| Molecular Weight | 314.1855 |
| SMILES | Cl.Cl.NC1=CC2=C(NC(=N2)CC2=C(F)C=CC=C2)C=C1 |
| Synonyms | 2-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine dihydrochloride,
1172291-64-3,
AC1Q3AS9,
CTK7D8520,
CTK8F3895,
AKOS016904145,
MCULE-4509090637,
NE15478,
EN300-44110,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.185g/mol |
| Monoisotopic Mass | 313.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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