1-(3,4-Difluorophenyl)cyclopropanecarbonitrile - CAS 186347-65-9
Catalog: |
BB014297 |
Product Name: |
1-(3,4-Difluorophenyl)cyclopropanecarbonitrile |
CAS: |
186347-65-9 |
Synonyms: |
1-(3,4-difluorophenyl)-1-cyclopropanecarbonitrile; 1-(3,4-difluorophenyl)cyclopropane-1-carbonitrile |
IUPAC Name: | 1-(3,4-difluorophenyl)cyclopropane-1-carbonitrile |
Description: | 1-(3,4-Difluorophenyl)cyclopropanecarbonitrile (CAS# 186347-65-9 ) is a useful research chemical. |
Molecular Weight: | 179.17 |
Molecular Formula: | C10H7F2N |
Canonical SMILES: | C1CC1(C#N)C2=CC(=C(C=C2)F)F |
InChI: | InChI=1S/C10H7F2N/c11-8-2-1-7(5-9(8)12)10(6-13)3-4-10/h1-2,5H,3-4H2 |
InChI Key: | BUYXKEPFKQYIEW-UHFFFAOYSA-N |
LogP: | 2.51998 |
Publication Number | Title | Priority Date |
US-2008176899-A1 | Modulators of ATP-Binding Cassette transporters | 20040820 |
US-2011306637-A1 | Modulators of atp-binding cassette transporters | 20040820 |
US-7977322-B2 | Modulators of ATP-binding cassette transporters | 20040820 |
US-8541453-B2 | Modulators of ATP-binding cassette transporters | 20040820 |
AU-2005210474-A1 | Modulators of ATP-Binding cassette transporters | 20040130 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.05465555 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.05465555 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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