| CAS Number | 39960-01-5 |
| Catalog Number | AG01C3CY |
| Chemical Name | 2-(2,3-Dichlorophenoxy)acetonitrile |
| IUPAC Name | 2-(2,3-dichlorophenoxy)acetonitrile |
| InChI | InChI=1S/C8H5Cl2NO/c9-6-2-1-3-7(8(6)10)12-5-4-11/h1-3H,5H2 |
| InChI Key | YRPZBISRQJRUIL-UHFFFAOYSA-N |
| MDL Number | MFCD09906434 |
| Molecular Formula | C8H5Cl2NO |
| Molecular Weight | 202.0374 |
| SMILES | ClC1=C(Cl)C(OCC#N)=CC=C1 |
| Synonyms | 2-(2,3-dichlorophenoxy)acetonitrile,
39960-01-5,
2,3-dichlorophenoxyacetonitrile,
2-(2,3-Dichloro-phenoxy)acetonitrile,
SCHEMBL9192626,
(2,3-dichlorophenoxy)acetonitrile,
YRPZBISRQJRUIL-UHFFFAOYSA-N,
ZINC11834411,
AKOS000191721,
MCULE-1366422478,
Z53793117,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.034g/mol |
| Monoisotopic Mass | 200.975g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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