5-Bromo-2-fluorophenylacetonitrile - CAS 305800-60-6
Catalog: |
BB020645 |
Product Name: |
5-Bromo-2-fluorophenylacetonitrile |
CAS: |
305800-60-6 |
Synonyms: |
2-(5-bromo-2-fluorophenyl)acetonitrile; 2-(5-bromo-2-fluorophenyl)acetonitrile |
IUPAC Name: | 2-(5-bromo-2-fluorophenyl)acetonitrile |
Description: | 5-Bromo-2-fluorophenylacetonitrile (CAS# 305800-60-6) is a useful research chemical. |
Molecular Weight: | 214.03 |
Molecular Formula: | C8H5BrFN |
Canonical SMILES: | C1=CC(=C(C=C1Br)CC#N)F |
InChI: | InChI=1S/C8H5BrFN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2 |
InChI Key: | CVMIQENCTVIYOH-UHFFFAOYSA-N |
LogP: | 2.65428 |
Publication Number | Title | Priority Date |
WO-2021204159-A1 | Menin inhibitors and methods of use for treating cancer | 20200408 |
AU-2017330174-A1 | Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors | 20160923 |
AU-2017330175-A1 | Dopamine-β-hydroxylase inhibitors | 20160923 |
CA-3036650-A1 | Dopamine-b-hydroxylase inhibitors | 20160923 |
CA-3037692-A1 | Blood-brain barrier-penetrant dopamine-b-hydroxylase inhibitors | 20160923 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.95894 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.95894 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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