| CAS Number | 1864061-46-0 |
| Catalog Number | AG01ANEE |
| Chemical Name | 2-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine dihydrochloride |
| IUPAC Name | 2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-amine;dihydrochloride |
| InChI | InChI=1S/C14H12FN3.2ClH/c15-10-3-1-9(2-4-10)7-14-17-12-6-5-11(16)8-13(12)18-14;;/h1-6,8H,7,16H2,(H,17,18);2*1H |
| InChI Key | CXKHMOOVJHKCJZ-UHFFFAOYSA-N |
| MDL Number | MFCD29034241 |
| Molecular Formula | C14H14Cl2FN3 |
| Molecular Weight | 314.1855 |
| SMILES | Cl.Cl.NC1=CC2=C(NC(=N2)CC2=CC=C(F)C=C2)C=C1 |
| Synonyms | 2-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-5-amine dihydrochloride,
1864061-46-0,
AKOS030757453,
Z2235399168,
|
| Complexity | 278 |
| 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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Certificate of Analysis
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