| CAS Number | 1193389-44-4 |
| Catalog Number | AG019W1T |
| Chemical Name | 2-(chloromethyl)-6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 2-(chloromethyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H6ClFN2O2.ClH/c10-3-7-12-6-2-4(11)1-5(9(14)15)8(6)13-7;/h1-2H,3H2,(H,12,13)(H,14,15);1H |
| InChI Key | IIYJECSLPJZOCJ-UHFFFAOYSA-N |
| MDL Number | MFCD12912813 |
| Molecular Formula | C9H7Cl2FN2O2 |
| Molecular Weight | 265.0685 |
| SMILES | Cl.OC(C1=C2C(NC(=N2)CCl)=CC(F)=C1)=O |
| Synonyms | 2-(chloromethyl)-6-fluoro-1H-1,3-benzodiazole-4-carboxylic acid hydrochloride,
1193389-44-4,
AC1Q3EXG,
CTK6H6878,
AKOS030699790,
MCULE-7672541267,
NE15606,
EN300-50202,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.065g/mol |
| Monoisotopic Mass | 263.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number