1-(2-Chlorophenyl)cyclopropanecarbonitrile - CAS 122143-18-4
Catalog: |
BB005342 |
Product Name: |
1-(2-Chlorophenyl)cyclopropanecarbonitrile |
CAS: |
122143-18-4 |
Synonyms: |
1-(2-chlorophenyl)-1-cyclopropanecarbonitrile; 1-(2-chlorophenyl)cyclopropane-1-carbonitrile |
IUPAC Name: | 1-(2-chlorophenyl)cyclopropane-1-carbonitrile |
Description: | 1-(2-Chlorophenyl)cyclopropanecarbonitrile (CAS# 122143-18-4) is a useful research chemical. |
Molecular Weight: | 177.63 |
Molecular Formula: | C10H8ClN |
Canonical SMILES: | C1CC1(C#N)C2=CC=CC=C2Cl |
InChI: | InChI=1S/C10H8ClN/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4H,5-6H2 |
InChI Key: | QZTBYZDCUXBPLS-UHFFFAOYSA-N |
Boiling Point: | 312.2 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.89518 |
Publication Number | Title | Priority Date |
CA-2681757-A1 | Methods and compositions for selectin inhibition | 20070330 |
EP-2134692-A2 | Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition | 20070330 |
JP-2010523499-A | Methods and compositions for inhibition of selectins | 20070330 |
KR-20090127183-A | Quinoline derivatives, and pharmaceutical composition for inhibiting selectin comprising the same | 20070330 |
US-2008255192-A1 | Methods and Compositions for Selectin Inhibition | 20070330 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.034527 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.034527 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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