| CAS Number | 1039334-67-2 |
| Catalog Number | AG019T0D |
| Chemical Name | 2-(4-Amino-2-fluorophenoxy)benzonitrile |
| IUPAC Name | 2-(4-amino-2-fluorophenoxy)benzonitrile |
| InChI | InChI=1S/C13H9FN2O/c14-11-7-10(16)5-6-13(11)17-12-4-2-1-3-9(12)8-15/h1-7H,16H2 |
| InChI Key | LWCBMXFEHUHNTC-UHFFFAOYSA-N |
| MDL Number | MFCD11193302 |
| Molecular Formula | C13H9FN2O |
| Molecular Weight | 228.2218 |
| SMILES | NC1=CC(F)=C(OC2=C(C#N)C=CC=C2)C=C1 |
| Synonyms | 2-(4-amino-2-fluorophenoxy)benzonitrile,
1039334-67-2,
ZINC20474919,
AKOS005939268,
IMED362716415,
MCULE-5737865717,
NE15099,
EN300-95673,
Z1276602997,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.226g/mol |
| Monoisotopic Mass | 228.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number