| CAS Number | 1245569-79-2 |
| Catalog Number | AG01B2I5(AGN-PC-0WC5YD) |
| Chemical Name | methyl 2-(chloromethyl)-1H-1,3-benzodiazole-5-carboxylate hydrochloride |
| IUPAC Name | methyl 2-(chloromethyl)-3H-benzimidazole-5-carboxylate;hydrochloride |
| InChI | InChI=1S/C10H9ClN2O2.ClH/c1-15-10(14)6-2-3-7-8(4-6)13-9(5-11)12-7;/h2-4H,5H2,1H3,(H,12,13);1H |
| InChI Key | WIVKSRIFPJVDOZ-UHFFFAOYSA-N |
| MDL Number | MFCD13857433 |
| Molecular Formula | C10H10Cl2N2O2 |
| Molecular Weight | 261.1046 |
| SMILES | Cl.COC(C1=CC2=C(NC(=N2)CCl)C=C1)=O |
| Synonyms | Methyl 2-(chloromethyl)-1H-benzo[d]imidazole-5-carboxylate hydrochloride,
1245569-79-2,
methyl 2-(chloromethyl)-1H-1,3-benzodiazole-5-carboxylate hydrochloride,
methyl 2-(chloromethyl)-1H-benzimidazole-5-carboxylate hydrochloride,
181054-01-3,
MFCD13857433,
AKOS027445253,
MCULE-3693134780,
C10H10Cl2N2O2,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.102g/mol |
| Monoisotopic Mass | 260.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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