| CAS Number | 1420800-15-2 |
| Catalog Number | AG009WX4(AGN-PC-0WAB7R) |
| Chemical Name | 5-Bromo-6-fluoro-2-methylbenzodiazole HCl |
| IUPAC Name | 5-bromo-6-fluoro-2-methyl-1H-benzimidazole;hydrochloride |
| InChI | InChI=1S/C8H6BrFN2.ClH/c1-4-11-7-2-5(9)6(10)3-8(7)12-4;/h2-3H,1H3,(H,11,12);1H |
| InChI Key | FZJIBHNPKKCPFP-UHFFFAOYSA-N |
| MDL Number | MFCD22689098 |
| Molecular Formula | C8H7BrClFN2 |
| Molecular Weight | 265.5100 |
| SMILES | Cl.CC1NC2=C(C=C(C(=C2)F)Br)N=1 |
| Synonyms | 5-Bromo-6-fluoro-2-methylbenzodiazole HCl,
1420800-15-2,
5-BROMO-6-FLUORO-2-METHYL-1H-1,3-BENZODIAZOLE HYDROCHLORIDE,
C8H7BrClFN2,
KM3912,
V3140,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.51g/mol |
| Monoisotopic Mass | 263.947g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number