5-Bromo-6-fluoro-1-isopropylbenzimidazole - CAS 1314987-85-3
Catalog: |
BB071723 |
Product Name: |
5-Bromo-6-fluoro-1-isopropylbenzimidazole |
CAS: |
1314987-85-3 |
Synonyms: |
5-Bromo-6-fluoro-1-isopropyl-1H-benzo[d]imidazole; 5-Bromo-6-fluoro-1-isopropylbenzimidazole; 5-bromo-6-fluoro-1-propan-2-ylbenzimidazole |
IUPAC Name: | 5-bromo-6-fluoro-1-propan-2-ylbenzimidazole |
Description: | 5-Bromo-6-fluoro-1-isopropylbenzimidazole |
Molecular Weight: | 257.1 |
Molecular Formula: | C10H10BrFN2 |
Canonical SMILES: | CC(C)N1C=NC2=CC(=C(C=C21)F)Br |
InChI: | InChI=1S/C10H10BrFN2/c1-6(2)14-5-13-9-3-7(11)8(12)4-10(9)14/h3-6H,1-2H3 |
InChI Key: | PSRVEAXHAVOZSK-UHFFFAOYSA-N |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.00114 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.00114 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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