5-Bromo-6-fluoro-2-methyl-1-propylbenzodiazole - CAS 1393441-99-0
Catalog: |
BB071706 |
Product Name: |
5-Bromo-6-fluoro-2-methyl-1-propylbenzodiazole |
CAS: |
1393441-99-0 |
Synonyms: |
5-Bromo-6-fluoro-2-methyl-1-propylbenzodiazole; 5-bromo-6-fluoro-2-methyl-1-propylbenzimidazole; 5-bromo-6-fluoro-2-methyl-1-propyl-1H-1,3-benzodiazole |
IUPAC Name: | 5-bromo-6-fluoro-2-methyl-1-propylbenzimidazole |
Description: | 5-Bromo-6-fluoro-2-methyl-1-propylbenzodiazole |
Molecular Weight: | 271.12 |
Molecular Formula: | C11H12BrFN2 |
Canonical SMILES: | CCCN1C(=NC2=CC(=C(C=C21)F)Br)C |
InChI: | InChI=1S/C11H12BrFN2/c1-3-4-15-7(2)14-10-5-8(12)9(13)6-11(10)15/h5-6H,3-4H2,1-2H3 |
InChI Key: | HWRMBDGZJMYFKN-UHFFFAOYSA-N |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.01679 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.01679 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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