1-(3,5-Difluorophenyl)cyclopentanecarbonitrile - CAS 1250963-13-3
Catalog: |
BB006059 |
Product Name: |
1-(3,5-Difluorophenyl)cyclopentanecarbonitrile |
CAS: |
1250963-13-3 |
Synonyms: |
1-(3,5-difluorophenyl)-1-cyclopentanecarbonitrile; 1-(3,5-difluorophenyl)cyclopentane-1-carbonitrile |
IUPAC Name: | 1-(3,5-difluorophenyl)cyclopentane-1-carbonitrile |
Description: | 1-(3,5-Difluorophenyl)cyclopentanecarbonitrile (CAS# 1250963-13-3 ) is a useful research chemical. |
Molecular Weight: | 207.22 |
Molecular Formula: | C12H11F2N |
Canonical SMILES: | C1CCC(C1)(C#N)C2=CC(=CC(=C2)F)F |
InChI: | InChI=1S/C12H11F2N/c13-10-5-9(6-11(14)7-10)12(8-15)3-1-2-4-12/h5-7H,1-4H2 |
InChI Key: | RMPGYWJTVUHICR-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2020087331-A1 | Chemoselective methylene hydroxylation in aromatic molecules | 20180913 |
US-10961266-B2 | Chemoselective methylene hydroxylation in aromatic molecules | 20180913 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.08595568 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.08595568 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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