| CAS Number | 885950-44-7 |
| Catalog Number | AG00IP9S(AGN-PC-0WAPYP) |
| Chemical Name | 4-Fluoro-4'-methoxy-[1,1'-biphenyl]-3-carbonitrile |
| IUPAC Name | 2-fluoro-5-(4-methoxyphenyl)benzonitrile |
| InChI | InChI=1S/C14H10FNO/c1-17-13-5-2-10(3-6-13)11-4-7-14(15)12(8-11)9-16/h2-8H,1H3 |
| InChI Key | QLFLKGAHOYLYBV-UHFFFAOYSA-N |
| MDL Number | MFCD08056603 |
| Molecular Formula | C14H10FNO |
| Molecular Weight | 227.2337 |
| SMILES | FC2(=C(C#N)C=C(C1(=CC=C(OC)C=C1))C=C2) |
| Synonyms | 4-fluoro-4'-methoxy[1,1'-biphenyl]-3-carbonitrile,
885950-44-7,
4-Fluoro-4'-methoxy-[1,1'-biphenyl]-3-carbonitrile,
CTK7A2984,
KS-00001RH8,
ZINC8729706,
MFCD08056603,
SBB097141,
AKOS005069342,
MCULE-5584834398,
RP13093,
2-fluoro-5-(4-methoxyphenyl)benzonitrile,
TR-062594,
2-fluoro-5-(4-methoxyphenyl)benzenecarbonitrile,
4-fluoro-4-methoxy[1,1-biphenyl]-3-carbonitrile,
10Y-0721,
|
| Complexity | 290 |
| 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
Certificate of Analysis
Lot Number