| CAS Number | 24889-07-4 |
| Catalog Number | AG01EJQR |
| Chemical Name | 4-(3-Chlorophenoxy)butanenitrile |
| IUPAC Name | 4-(3-chlorophenoxy)butanenitrile |
| InChI | InChI=1S/C10H10ClNO/c11-9-4-3-5-10(8-9)13-7-2-1-6-12/h3-5,8H,1-2,7H2 |
| InChI Key | MQFQUIIIMDMFLN-UHFFFAOYSA-N |
| MDL Number | MFCD09942210 |
| Molecular Formula | C10H10ClNO |
| Molecular Weight | 195.6455 |
| SMILES | ClC1=CC(OCCCC#N)=CC=C1 |
| Synonyms | 24889-07-4,
Butanenitrile, 4-(3-chlorophenoxy)-,
4-(3-chlorophenoxy)butanenitrile,
AKOS000188553,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.646g/mol |
| Monoisotopic Mass | 195.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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