| CAS Number | 1381944-62-2 |
| Catalog Number | AG00186J(AGN-PC-0J2CCI) |
| Chemical Name | 2-Fluoro-4-(3-methoxyphenyl)benzonitrile |
| IUPAC Name | 2-fluoro-4-(3-methoxyphenyl)benzonitrile |
| InChI | InChI=1S/C14H10FNO/c1-17-13-4-2-3-10(7-13)11-5-6-12(9-16)14(15)8-11/h2-8H,1H3 |
| InChI Key | RSVFSVRNEYXKDZ-UHFFFAOYSA-N |
| MDL Number | MFCD22375069 |
| Molecular Formula | C14H10FNO |
| Molecular Weight | 227.2337 |
| SMILES | COc1cccc(c1)c1ccc(c(c1)F)C#N |
| Synonyms | 2-Fluoro-4-(3-methoxyphenyl)benzonitrile,
1381944-62-2,
ACMC-209cgg,
CTK8B0730,
DTXSID10743052,
ANW-20414,
MFCD22375069,
ZINC85477313,
AKOS026673130,
CJ-22468,
TC-109159,
V2835,
3-Fluoro-3'-methoxy[1,1'-biphenyl]-4-carbonitrile,
[1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-3'-methoxy-,
C14H10FNO,
B-8925,
3-fluoro-3'-methoxy-[1,1'-biphenyl]-4-carbonitrile,
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| 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
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Certificate of Analysis
Lot Number