4-[(6-Bromohexyl)oxy]benzonitrile - CAS 91944-99-9
Catalog: |
BB071185 |
Product Name: |
4-[(6-Bromohexyl)oxy]benzonitrile |
CAS: |
91944-99-9 |
Synonyms: |
4-[(6-bromohexyl)oxy]benzonitrile; 4-(6-bromohexoxy)benzonitrile; 4-[(6-bromohexyl)oxy]-benzonitrile; 4-(6-bromohexyloxy)benzonitrile; 6-(4-cyanophenoxy)hexyl bromide; 4-(6-bromohexyloxy)-benzonitrile |
IUPAC Name: | 4-(6-bromohexoxy)benzonitrile |
Molecular Weight: | 282.18 |
Molecular Formula: | C13H16BrNO |
Canonical SMILES: | C1=CC(=CC=C1C#N)OCCCCCCBr |
InChI: | InChI=1S/C13H16BrNO/c14-9-3-1-2-4-10-16-13-7-5-12(11-15)6-8-13/h5-8H,1-4,9-10H2 |
InChI Key: | FOQMXJYXSDXBPY-UHFFFAOYSA-N |
Storage: | 4°C, Inert atmosphere |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.04153 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.04153 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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