| CAS Number | 55368-17-7 |
| Catalog Number | AG019YZ9 |
| Chemical Name | 4-(3-nitrophenoxy)benzonitrile |
| IUPAC Name | 4-(3-nitrophenoxy)benzonitrile |
| InChI | InChI=1S/C13H8N2O3/c14-9-10-4-6-12(7-5-10)18-13-3-1-2-11(8-13)15(16)17/h1-8H |
| InChI Key | JAFQJTOXYUBTIE-UHFFFAOYSA-N |
| MDL Number | MFCD13208445 |
| Molecular Formula | C13H8N2O3 |
| Molecular Weight | 240.2142 |
| SMILES | [O-][N+](C1=CC(OC2=CC=C(C#N)C=C2)=CC=C1)=O |
| Synonyms | 4-(3-nitrophenoxy)benzonitrile,
55368-17-7,
ZINC37986961,
AKOS009295842,
MCULE-6576551235,
NE15747,
SEL10362124,
EN300-103741,
Z372961096,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.218g/mol |
| Monoisotopic Mass | 240.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number