| CAS Number | 288252-04-0 |
| Catalog Number | AG01AFL6(AGN-PC-03I25Y) |
| Chemical Name | 5-Amino-2-phenoxybenzonitrile |
| IUPAC Name | 5-amino-2-phenoxybenzonitrile |
| InChI | InChI=1S/C13H10N2O/c14-9-10-8-11(15)6-7-13(10)16-12-4-2-1-3-5-12/h1-8H,15H2 |
| InChI Key | MNIAKJQVYACFRT-UHFFFAOYSA-N |
| MDL Number | MFCD14617347 |
| Molecular Formula | C13H10N2O |
| Molecular Weight | 210.2313 |
| SMILES | NC=1C=CC(=C(C#N)C1)OC1=CC=CC=C1 |
| Synonyms | 5-amino-2-phenoxybenzonitrile,
288252-04-0,
SCHEMBL5553314,
MNIAKJQVYACFRT-UHFFFAOYSA-N,
ZINC20530028,
AKOS010550793,
MCULE-6648499896,
NE35956,
BC4278421,
EN300-154368,
Z1744716256,
|
| Complexity | 264 |
| 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