1-(4-Bromo-2-fluorophenyl)cyclopentanecarbonitrile - CAS 749930-45-8
Catalog: |
BB035215 |
Product Name: |
1-(4-Bromo-2-fluorophenyl)cyclopentanecarbonitrile |
CAS: |
749930-45-8 |
Synonyms: |
1-(4-bromo-2-fluorophenyl)-1-cyclopentanecarbonitrile; 1-(4-bromo-2-fluorophenyl)cyclopentane-1-carbonitrile |
IUPAC Name: | 1-(4-bromo-2-fluorophenyl)cyclopentane-1-carbonitrile |
Description: | 1-(4-Bromo-2-fluorophenyl)cyclopentanecarbonitrile (CAS# 749930-45-8 ) is a useful research chemical. |
Molecular Weight: | 268.12 |
Molecular Formula: | C12H11BrFN |
Canonical SMILES: | C1CCC(C1)(C#N)C2=C(C=C(C=C2)Br)F |
InChI: | InChI=1S/C12H11BrFN/c13-9-3-4-10(11(14)7-9)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6H2 |
InChI Key: | NTVAAFIXXWDVTK-UHFFFAOYSA-N |
LogP: | 3.92358 |
Publication Number | Title | Priority Date |
AU-2004213247-A1 | Inhibitors of Hepatitis C virus RNA-dependent rna polymerase, and compositions and treatments using the same | 20030221 |
CA-2516235-A1 | Inhibitors of hepatitis c virus rna-dependent rna polymerase, and compositions and treatments using the same | 20030221 |
EP-1597246-A2 | Inhibitors of hepatitis c virus rna-dependent rna polymerase, and compositions and treatments using the same | 20030221 |
JP-2006518370-A | Hepatitis C virus RNA-dependent RNA polymerase inhibitor and compositions and treatments using the same | 20030221 |
JP-3940430-B2 | Hepatitis C virus RNA-dependent RNA polymerase inhibitor and compositions and treatments using the same | 20030221 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.00589 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.00589 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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