| CAS Number | 1193388-68-9 |
| Catalog Number | AG019WC9 |
| Chemical Name | 2-(2-chlorophenyl)-1H-1,3-benzodiazol-5-amine dihydrochloride |
| IUPAC Name | 2-(2-chlorophenyl)-3H-benzimidazol-5-amine;dihydrochloride |
| InChI | InChI=1S/C13H10ClN3.2ClH/c14-10-4-2-1-3-9(10)13-16-11-6-5-8(15)7-12(11)17-13;;/h1-7H,15H2,(H,16,17);2*1H |
| InChI Key | VLAQTPWBKVLKMC-UHFFFAOYSA-N |
| MDL Number | MFCD12912962 |
| Molecular Formula | C13H12Cl3N3 |
| Molecular Weight | 316.6135 |
| SMILES | Cl.Cl.NC1=CC2=C(NC(C3=C(Cl)C=CC=C3)=N2)C=C1 |
| Synonyms | 2-(2-chlorophenyl)-1H-1,3-benzodiazol-5-amine dihydrochloride,
1193388-68-9,
AC1Q3AS2,
CTK7D8508,
CTK8F3531,
AKOS008108201,
MCULE-9248814078,
NE15623,
EN300-51428,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.61g/mol |
| Monoisotopic Mass | 315.01g/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