| CAS Number | 330942-69-3 |
| Catalog Number | AG01B3ZA(AGN-PC-03RTAO) |
| Chemical Name | 3-(2-Aminophenoxy)benzonitrile |
| IUPAC Name | 3-(2-aminophenoxy)benzonitrile |
| InChI | InChI=1S/C13H10N2O/c14-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)15/h1-8H,15H2 |
| InChI Key | COWSFDZTJBAMIM-UHFFFAOYSA-N |
| MDL Number | MFCD11133073 |
| Molecular Formula | C13H10N2O |
| Molecular Weight | 210.2313 |
| SMILES | NC1=C(OC2=CC(C#N)=CC=C2)C=CC=C1 |
| Synonyms | 3-(2-aminophenoxy)benzonitrile,
330942-69-3,
SCHEMBL890666,
COWSFDZTJBAMIM-UHFFFAOYSA-N,
ZINC19845859,
AKOS000214906,
BC4161354,
EN300-295405,
F9994-0561,
|
| Complexity | 270 |
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number