| CAS Number | 1403483-67-9 |
| Catalog Number | AG009WY2(AGN-PC-0WAB32) |
| Chemical Name | 5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one |
| IUPAC Name | 6-bromo-3-tert-butyl-5-fluoro-1H-benzimidazol-2-one |
| InChI | InChI=1S/C11H12BrFN2O/c1-11(2,3)15-9-5-7(13)6(12)4-8(9)14-10(15)16/h4-5H,1-3H3,(H,14,16) |
| InChI Key | KFQOICSLNWFKDR-UHFFFAOYSA-N |
| MDL Number | MFCD22549324 |
| Molecular Formula | C11H12BrFN2O |
| Molecular Weight | 287.1282 |
| SMILES | Brc1cc2[nH]c(=O)n(c2cc1F)C(C)(C)C |
| Synonyms | 5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one,
1403483-67-9,
C11H12BrFN2O,
ZINC95217983,
V3063,
5-Bromo-1-tert-butyl-6-fluoro-1H-benzimidazol-2-ol,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.132g/mol |
| Monoisotopic Mass | 286.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number