1-Fluoro-2-isobutoxy-4-(trifluoromethoxy)benzene - CAS 1355246-84-2
Catalog: |
BB065185 |
Product Name: |
1-Fluoro-2-isobutoxy-4-(trifluoromethoxy)benzene |
CAS: |
1355246-84-2 |
Synonyms: |
1-Fluoro-2-isobutoxy-4-(trifluoromethoxy)benzene; 1-fluoro-2-(2-methylpropoxy)-4-(trifluoromethoxy)benzene |
IUPAC Name: | 1-fluoro-2-(2-methylpropoxy)-4-(trifluoromethoxy)benzene |
Description: | 1-Fluoro-2-isobutoxy-4-(trifluoromethoxy)benzene |
Molecular Weight: | 252.21 |
Molecular Formula: | C11H12F4O2 |
Canonical SMILES: | CC(C)COC1=C(C=CC(=C1)OC(F)(F)F)F |
InChI: | InChI=1S/C11H12F4O2/c1-7(2)6-16-10-5-8(3-4-9(10)12)17-11(13,14)15/h3-5,7H,6H2,1-2H3 |
InChI Key: | IPRSGQZXGBVGAQ-UHFFFAOYSA-N |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.07734227 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.07734227 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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