| CAS Number | 1258649-53-4 |
| Catalog Number | AG01AADK(AGN-PC-0WO2D0) |
| Chemical Name | 2-(chloromethyl)-4-fluoro-1H-1,3-benzodiazole hydrochloride |
| IUPAC Name | 2-(chloromethyl)-4-fluoro-1H-benzimidazole;hydrochloride |
| InChI | InChI=1S/C8H6ClFN2.ClH/c9-4-7-11-6-3-1-2-5(10)8(6)12-7;/h1-3H,4H2,(H,11,12);1H |
| InChI Key | PWEODTLRDGURBD-UHFFFAOYSA-N |
| MDL Number | MFCD17167149 |
| Molecular Formula | C8H7Cl2FN2 |
| Molecular Weight | 221.0590 |
| SMILES | Cl.FC1=C2C(NC(=N2)CCl)=CC=C1 |
| Synonyms | 2-(chloromethyl)-4-fluoro-1H-1,3-benzodiazole hydrochloride,
1258649-53-4,
AC1Q3C9V,
SCHEMBL18765222,
AKOS026726851,
NE37840,
EN300-68307,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.056g/mol |
| Monoisotopic Mass | 219.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number