3-Chlorophenoxyacetonitrile - CAS 43111-32-6
Catalog: |
BB025324 |
Product Name: |
3-Chlorophenoxyacetonitrile |
CAS: |
43111-32-6 |
Synonyms: |
2-(3-chlorophenoxy)acetonitrile; 2-(3-chlorophenoxy)acetonitrile |
IUPAC Name: | 2-(3-chlorophenoxy)acetonitrile |
Description: | 3-Chlorophenoxyacetonitrile (CAS# 43111-32-6) is a useful research chemical. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)OCC#N |
InChI: | InChI=1S/C8H6ClNO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,5H2 |
InChI Key: | NHHNUPMHGVIQQC-UHFFFAOYSA-N |
Boiling Point: | 126-128 °C (1 torr) |
Density: | 1.238 g/cm3 |
MDL: | MFCD00017332 |
LogP: | 2.24238 |
Publication Number | Title | Priority Date |
US-2012122929-A1 | Heteroarylpiperidine and -piperazine derivatives as fungicides | 20100825 |
WO-2012025557-A1 | Heteroarylpiperidine and -piperazine derivatives as fungicides | 20100825 |
DE-19927611-A1 | Aryloxyethylaminotriazines | 19990617 |
WO-0078737-A2 | Aryloxy ethylamino triazines as herbicides | 19990617 |
EP-1183238-A1 | Metabotropic glutamate receptor antagonists | 19990517 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0137915 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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