1-(3,5-Difluorophenyl)cyclopropanecarbonitrile - CAS 1205642-06-3
Catalog: |
BB004910 |
Product Name: |
1-(3,5-Difluorophenyl)cyclopropanecarbonitrile |
CAS: |
1205642-06-3 |
Synonyms: |
1-(3,5-difluorophenyl)-1-cyclopropanecarbonitrile; 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile |
IUPAC Name: | 1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile |
Description: | 1-(3,5-Difluorophenyl)cyclopropanecarbonitrile (CAS# 1205642-06-3 ) is a useful research chemical. |
Molecular Weight: | 179.17 |
Molecular Formula: | C10H7F2N |
Canonical SMILES: | C1CC1(C#N)C2=CC(=CC(=C2)F)F |
InChI: | InChI=1S/C10H7F2N/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2H2 |
InChI Key: | WHYHFQTUOOGNDA-UHFFFAOYSA-N |
LogP: | 2.51998 |
Publication Number | Title | Priority Date |
AU-2009273324-A1 | 4,5-dihydro-oxazol-2-yl derivatives | 20080724 |
CA-2728480-A1 | 4,5-dihydro-oxazol-2-yl derivatives | 20080724 |
EP-2321287-A1 | 4,5-dihydro-oxazol-2-yl derivatives | 20080724 |
EP-2321287-B1 | 4,5-dihydro-oxazol-2-yl derivatives | 20080724 |
ES-2556633-T3 | 4,5-Dihydro-oxazol-2-yl derivatives | 20080724 |
Complexity: | 241 |
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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