| CAS Number | 1381944-60-0 |
| Catalog Number | AG00186L(AGN-PC-0WAB7D) |
| Chemical Name | 5-Bromo-6,7-difluoro-1-methyl-1,3-benzodiazole |
| IUPAC Name | 5-bromo-6,7-difluoro-1-methylbenzimidazole |
| InChI | InChI=1S/C8H5BrF2N2/c1-13-3-12-5-2-4(9)6(10)7(11)8(5)13/h2-3H,1H3 |
| InChI Key | ZGZACHGAOZFXKQ-UHFFFAOYSA-N |
| MDL Number | MFCD22375040 |
| Molecular Formula | C8H5BrF2N2 |
| Molecular Weight | 247.0395 |
| SMILES | Brc1cc2ncn(c2c(c1F)F)C |
| Synonyms | 5-Bromo-6,7-difluoro-1-methyl-1,3-benzodiazole,
1381944-60-0,
ACMC-209cge,
SCHEMBL20512424,
CTK8B0728,
DTXSID90743050,
ANW-20412,
MFCD22375040,
ZINC85477311,
AKOS025394352,
TC-109157,
V2833,
5-Bromo-6,7-difluoro-1-methyl-1H-benzimidazole,
1H-Benzimidazole, 5-bromo-6,7-difluoro-1-methyl-,
C8H5BrF2N2,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.043g/mol |
| Monoisotopic Mass | 245.96g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number