| CAS Number | 1153351-34-8 |
| Catalog Number | AG01B8WB |
| Chemical Name | 4-(3,5-Dichlorophenoxy)benzonitrile |
| IUPAC Name | 4-(3,5-dichlorophenoxy)benzonitrile |
| InChI | InChI=1S/C13H7Cl2NO/c14-10-5-11(15)7-13(6-10)17-12-3-1-9(8-16)2-4-12/h1-7H |
| InChI Key | RCUPLKVXBDTQCF-UHFFFAOYSA-N |
| MDL Number | MFCD12563819 |
| Molecular Formula | C13H7Cl2NO |
| Molecular Weight | 264.1068 |
| SMILES | ClC1=CC(OC2=CC=C(C#N)C=C2)=CC(Cl)=C1 |
| Synonyms | 4-(3,5-dichlorophenoxy)benzonitrile,
1153351-34-8,
SCHEMBL921319,
RCUPLKVXBDTQCF-UHFFFAOYSA-N,
ZINC35176795,
AKOS009114159,
SEL10192501,
EN300-202701,
Z2010009834,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.105g/mol |
| Monoisotopic Mass | 262.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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