3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole - CAS 118183-92-9
Catalog: |
BB004065 |
Product Name: |
3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole |
CAS: |
118183-92-9 |
Synonyms: |
3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole; 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole |
IUPAC Name: | 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole |
Description: | 3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole (CAS# 118183-92-9) is a useful research chemical. |
Molecular Weight: | 239.07 |
Molecular Formula: | C9H7BrN2O |
Canonical SMILES: | CC1=NC(=NO1)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C9H7BrN2O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,1H3 |
InChI Key: | YWBIOYGLRGIJRT-UHFFFAOYSA-N |
Boiling Point: | 327.9 °C at 760 mmHg |
Melting Point: | 98 °C |
Purity: | 95 % |
Density: | 1.528 g/cm3 |
Appearance: | White solid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00487341 |
LogP: | 2.80750 |
Publication Number | Title | Priority Date |
EP-2906040-A1 | Novel benzimidazole tetrahydropyran derivatives | 20120822 |
US-2015197516-A1 | Novel benzimidazole tetrahydropyran derivatives | 20120822 |
US-9527839-B2 | Benzimidazole tetrahydropyran derivatives | 20120822 |
WO-2014031445-A1 | Novel benzimidazole tetrahydropyran derivatives | 20120822 |
EP-2906040-B1 | Novel benzimidazole tetrahydropyran derivatives | 20120822 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.97418 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.97418 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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