| CAS Number | 1365272-56-5 |
| Catalog Number | AG00121E(AGN-PC-0J2C8E) |
| Chemical Name | 3-(5-Fluoro-2-methoxyphenyl)benzonitrile |
| IUPAC Name | 3-(5-fluoro-2-methoxyphenyl)benzonitrile |
| InChI | InChI=1S/C14H10FNO/c1-17-14-6-5-12(15)8-13(14)11-4-2-3-10(7-11)9-16/h2-8H,1H3 |
| InChI Key | IMWQMJHDSLAUSV-UHFFFAOYSA-N |
| MDL Number | MFCD21609600 |
| Molecular Formula | C14H10FNO |
| Molecular Weight | 227.2337 |
| SMILES | COc1ccc(cc1c1cccc(c1)C#N)F |
| Synonyms | 3-(5-Fluoro-2-methoxyphenyl)benzonitrile,
1365272-56-5,
ACMC-209c8d,
CTK8B0556,
DTXSID70742905,
ANW-20123,
MFCD21609600,
ZINC85477106,
CJ-22424,
TC-108868,
V2616,
B-8588,
5'-Fluoro-2'-methoxy[1,1'-biphenyl]-3-carbonitrile,
[1,1'-Biphenyl]-3-carbonitrile, 5'-fluoro-2'-methoxy-,
C14H10FNO,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.238g/mol |
| Monoisotopic Mass | 227.075g/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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number