1-(4-Bromo-2-fluorophenyl)cyclobutanecarbonitrile - CAS 749929-04-2
Catalog: |
BB035214 |
Product Name: |
1-(4-Bromo-2-fluorophenyl)cyclobutanecarbonitrile |
CAS: |
749929-04-2 |
Synonyms: |
1-(4-bromo-2-fluorophenyl)-1-cyclobutanecarbonitrile; 1-(4-bromo-2-fluorophenyl)cyclobutane-1-carbonitrile |
IUPAC Name: | 1-(4-bromo-2-fluorophenyl)cyclobutane-1-carbonitrile |
Description: | 1-(4-Bromo-2-fluorophenyl)cyclobutanecarbonitrile (CAS# 749929-04-2 ) is a useful research chemical. |
Molecular Weight: | 254.10 |
Molecular Formula: | C11H9BrFN |
Canonical SMILES: | C1CC(C1)(C#N)C2=C(C=C(C=C2)Br)F |
InChI: | InChI=1S/C11H9BrFN/c12-8-2-3-9(10(13)6-8)11(7-14)4-1-5-11/h2-3,6H,1,4-5H2 |
InChI Key: | UCOCUNWNHVTRDH-UHFFFAOYSA-N |
LogP: | 3.53348 |
Publication Number | Title | Priority Date |
AU-2018265615-A1 | Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors | 20170512 |
CN-110769830-A | Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors | 20170512 |
KR-20200035234-A | Substituted heterocyclic compounds as allosteric modulators of Group II metabolic glutamate receptors | 20170512 |
US-2020140438-A1 | Substituted heterocyclic compounds as allosteric modulators of group ii metabotropic glutamate receptors | 20170512 |
JP-2020519647-A | Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors | 20170512 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.99024 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.99024 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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