4-Bromo-2-butoxy-1-(trifluoromethoxy)benzene - CAS 1355246-82-0
Catalog: |
BB072362 |
Product Name: |
4-Bromo-2-butoxy-1-(trifluoromethoxy)benzene |
CAS: |
1355246-82-0 |
Synonyms: |
4-Bromo-2-butoxy-1-(trifluoromethoxy)benzene |
IUPAC Name: | 4-bromo-2-butoxy-1-(trifluoromethoxy)benzene |
Description: | 4-Bromo-2-butoxy-1-(trifluoromethoxy)benzene |
Molecular Weight: | 313.11 |
Molecular Formula: | C11H12BrF3O2 |
Canonical SMILES: | CCCCOC1=C(C=CC(=C1)Br)OC(F)(F)F |
InChI: | InChI=1S/C11H12BrF3O2/c1-2-3-6-16-10-7-8(12)4-5-9(10)17-11(13,14)15/h4-5,7H,2-3,6H2,1H3 |
InChI Key: | UANWJANBFIIDDJ-UHFFFAOYSA-N |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.99728 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.99728 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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