| CAS Number | 305801-18-7 |
| Catalog Number | AG01AGYB(AGN-PC-05CXC9) |
| Chemical Name | 3-(4-Aminophenoxy)benzonitrile |
| IUPAC Name | 3-(4-aminophenoxy)benzonitrile |
| InChI | InChI=1S/C13H10N2O/c14-9-10-2-1-3-13(8-10)16-12-6-4-11(15)5-7-12/h1-8H,15H2 |
| InChI Key | VIAKQBRLRUIQHB-UHFFFAOYSA-N |
| MDL Number | MFCD11133080 |
| Molecular Formula | C13H10N2O |
| Molecular Weight | 210.2313 |
| SMILES | NC1=CC=C(OC2=CC(C#N)=CC=C2)C=C1 |
| Synonyms | 3-(4-aminophenoxy)benzonitrile,
305801-18-7,
EN300-73166,
AC1Q524G,
SCHEMBL13192848,
ZINC19845861,
AKOS000214908,
MCULE-3840138074,
NE31875,
BC4161355,
Z932544070,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.236g/mol |
| Monoisotopic Mass | 210.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number