2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile - CAS 1381944-30-4
Catalog: |
BB062089 |
Product Name: |
2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile |
CAS: |
1381944-30-4 |
Synonyms: |
2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile; 5-bromo-2-(trifluoromethoxy)phenylacetonitrile; 2-(5-Bromo-2-(trifluoromethoxy)phenyl)acetonitrile |
IUPAC Name: | 2-[5-bromo-2-(trifluoromethoxy)phenyl]acetonitrile |
Description: | 2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile |
Molecular Weight: | 280.04 |
Molecular Formula: | C9H5BrF3NO |
Canonical SMILES: | C1=CC(=C(C=C1Br)CC#N)OC(F)(F)F |
InChI: | InChI=1S/C9H5BrF3NO/c10-7-1-2-8(15-9(11,12)13)6(5-7)3-4-14/h1-2,5H,3H2 |
InChI Key: | CPMGKPWSHGWONW-UHFFFAOYSA-N |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.95066 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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