| CAS Number | 1368559-67-4 |
| Catalog Number | AG01BE3F |
| Chemical Name | 5-Bromo-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazole |
| IUPAC Name | 5-bromo-2-methyl-1-propan-2-ylbenzimidazole |
| InChI | InChI=1S/C11H13BrN2/c1-7(2)14-8(3)13-10-6-9(12)4-5-11(10)14/h4-7H,1-3H3 |
| InChI Key | WQHFEZKURYIXRR-UHFFFAOYSA-N |
| MDL Number | MFCD21993415 |
| Molecular Formula | C11H13BrN2 |
| Molecular Weight | 253.1383 |
| SMILES | CC(N1C2=C(C=C(C=C2)Br)N=C1C)C |
| Synonyms | 5-bromo-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazole,
1368559-67-4,
ZINC82619682,
AKOS022804305,
MCULE-7853082961,
NE22790,
Z1860991514,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.143g/mol |
| Monoisotopic Mass | 252.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number