| CAS Number | 1393442-19-7 |
| Catalog Number | AG009WWS(AGN-PC-0WAB2D) |
| Chemical Name | 5-Bromo-1-ethyl-6,7-difluoro-2-methyl-1,3-benzodiazole |
| IUPAC Name | 5-bromo-1-ethyl-6,7-difluoro-2-methylbenzimidazole |
| InChI | InChI=1S/C10H9BrF2N2/c1-3-15-5(2)14-7-4-6(11)8(12)9(13)10(7)15/h4H,3H2,1-2H3 |
| InChI Key | AYJUEFHTFROPCN-UHFFFAOYSA-N |
| MDL Number | MFCD22383710 |
| Molecular Formula | C10H9BrF2N2 |
| Molecular Weight | 275.0927 |
| SMILES | CCn1c(C)nc2c1c(F)c(c(c2)Br)F |
| Synonyms | 5-Bromo-1-ethyl-6,7-difluoro-2-methyl-1,3-benzodiazole,
1393442-19-7,
ZINC95495620,
AKOS026673179,
V2930,
C10H9BrF2N2,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.097g/mol |
| Monoisotopic Mass | 273.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number