| CAS Number | 1153151-54-2 |
| Catalog Number | AG00HCZ6(AGN-PC-0WNO3G) |
| Chemical Name | 2-(chloromethyl)-1-(difluoromethyl)-1H-1,3-benzodiazole hydrochloride |
| IUPAC Name | 2-(chloromethyl)-1-(difluoromethyl)benzimidazole;hydrochloride |
| InChI | InChI=1S/C9H7ClF2N2.ClH/c10-5-8-13-6-3-1-2-4-7(6)14(8)9(11)12;/h1-4,9H,5H2;1H |
| InChI Key | LMLWIVPXSQASPD-UHFFFAOYSA-N |
| MDL Number | MFCD08729304 |
| Molecular Formula | C9H8Cl2F2N2 |
| Molecular Weight | 253.0760 |
| SMILES | Cl.FC(N1C2=C(C=CC=C2)N=C1CCl)F |
| Synonyms | 2-(chloromethyl)-1-(difluoromethyl)-1H-benzimidazole hydrochloride,
1153151-54-2,
2-(chloromethyl)-1-(difluoromethyl)-1H-1,3-benzodiazole hydrochloride,
AC1Q3C94,
CTK6H6889,
MFCD08729304,
AKOS008085582,
MCULE-9801611110,
NE35582,
EN300-26573,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.074g/mol |
| Monoisotopic Mass | 252.003g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number