| CAS Number | 156783-71-0 |
| Catalog Number | AG00IRFU(AGN-PC-0WAXHQ) |
| Chemical Name | 2-(2-fluorophenoxy)benzenecarbonitrile |
| IUPAC Name | 2-(2-fluorophenoxy)benzonitrile |
| InChI | InChI=1S/C13H8FNO/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8H |
| InChI Key | DKSKNOWZNGOGEY-UHFFFAOYSA-N |
| MDL Number | MFCD02082013 |
| Molecular Formula | C13H8FNO |
| Molecular Weight | 213.2071 |
| SMILES | FC2(=C(OC1(=C(C#N)C=CC=C1))C=CC=C2) |
| Synonyms | 2-(2-fluorophenoxy)benzenecarbonitrile,
2-(2-fluorophenoxy)benzonitrile,
156783-71-0,
AC1LSJK0,
Bionet2_000638,
Oprea1_330744,
SCHEMBL18603934,
HMS1365M22,
KS-000021HW,
ZINC1403776,
MFCD02082013,
AKOS000262162,
MCULE-2710235787,
9P-005,
ZINC01403776,
CID1489015,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.211g/mol |
| Monoisotopic Mass | 213.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number