2,5-Dichlorophenylacetonitrile - CAS 3218-50-6
Catalog: |
BB021218 |
Product Name: |
2,5-Dichlorophenylacetonitrile |
CAS: |
3218-50-6 |
Synonyms: |
2-(2,5-dichlorophenyl)acetonitrile; 2-(2,5-dichlorophenyl)acetonitrile |
IUPAC Name: | 2-(2,5-dichlorophenyl)acetonitrile |
Description: | 2,5-Dichlorophenylacetonitrile (CAS# 3218-50-6) is a useful research chemical. |
Molecular Weight: | 186.04 |
Molecular Formula: | C8H5Cl2N |
Canonical SMILES: | C1=CC(=C(C=C1Cl)CC#N)Cl |
InChI: | InChI=1S/C8H5Cl2N/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2 |
InChI Key: | RLUBZPCKOYSHNQ-UHFFFAOYSA-N |
LogP: | 3.05948 |
Publication Number | Title | Priority Date |
CN-111253404-A | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 20181130 |
WO-2020108659-A1 | Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof | 20181130 |
EP-3889156-A1 | Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof | 20181130 |
CN-109613155-A | A kind of detection method of armaticity nitrogenous disinfection byproducts | 20181129 |
CN-108709944-A | The method for detecting nitrogenous -6 kinds of chlorobenzene acetonitriles of armaticity disinfection by-products in drinking water simultaneously | 20180427 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.9799046 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.9799046 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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