| CAS Number | 1381944-40-6 |
| Catalog Number | AG001874(AGN-PC-0WAB2C) |
| Chemical Name | 5-Bromo-1-ethyl-6,7-difluoro-1,3-benzodiazole |
| IUPAC Name | 5-bromo-1-ethyl-6,7-difluorobenzimidazole |
| InChI | InChI=1S/C9H7BrF2N2/c1-2-14-4-13-6-3-5(10)7(11)8(12)9(6)14/h3-4H,2H2,1H3 |
| InChI Key | IUXKNXOTLBNUQE-UHFFFAOYSA-N |
| MDL Number | MFCD22375042 |
| Molecular Formula | C9H7BrF2N2 |
| Molecular Weight | 261.0661 |
| SMILES | CCn1cnc2c1c(F)c(c(c2)Br)F |
| Synonyms | 5-Bromo-1-ethyl-6,7-difluoro-1,3-benzodiazole,
1381944-40-6,
ACMC-209cfw,
CTK8B0710,
DTXSID70743033,
ANW-20394,
MFCD22375042,
ZINC85477287,
AKOS026673121,
TC-109139,
V2814,
5-Bromo-1-ethyl-6,7-difluoro-1H-benzimidazole,
1H-Benzimidazole, 5-bromo-1-ethyl-6,7-difluoro-,
C9H7BrF2N2,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.07g/mol |
| Monoisotopic Mass | 259.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number