| CAS Number | 623577-59-3 |
| Catalog Number | AG00EQAP(AGN-PC-03L3K9) |
| Chemical Name | 4-BROMO-1-(4-FLUORO-PHENYL)-1H-IMIDAZOLE |
| IUPAC Name | 4-bromo-1-(4-fluorophenyl)imidazole |
| InChI | InChI=1S/C9H6BrFN2/c10-9-5-13(6-12-9)8-3-1-7(11)2-4-8/h1-6H |
| InChI Key | BZRDUINZBROYAQ-UHFFFAOYSA-N |
| MDL Number | MFCD14706293 |
| Molecular Formula | C9H6BrFN2 |
| Molecular Weight | 241.0597 |
| SMILES | FC1=CC=C(C=C1)N1C=NC(Br)=C1 |
| Synonyms | 4-Bromo-1-(4-fluorophenyl)-1H-imidazole,
623577-59-3,
4-BROMO-1-(4-FLUORO-PHENYL)-1H-IMIDAZOLE,
4-Bromo-1-(4-fluorophenyl)imidazole,
SCHEMBL1844493,
CTK8C0777,
DTXSID70622950,
BZRDUINZBROYAQ-UHFFFAOYSA-N,
KS-000019QI,
ANW-65258,
MFCD14706293,
ZINC72193544,
AKOS015945353,
FCH1387715,
AM804147,
AJ-119472,
AX8234480,
TC-154003,
CS-0038149,
1H-Imidazole, 4-bromo-1-(4-fluorophenyl)-,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.063g/mol |
| Monoisotopic Mass | 239.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number