| CAS Number | 1381944-29-1 |
| Catalog Number | AG00185Z(AGN-PC-0WA6OY) |
| Chemical Name | 2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzonitrile |
| IUPAC Name | 2-fluoro-4-(4-methylsulfanylphenyl)benzonitrile |
| InChI | InChI=1S/C14H10FNS/c1-17-13-6-4-10(5-7-13)11-2-3-12(9-16)14(15)8-11/h2-8H,1H3 |
| InChI Key | WSYKTWQDJFYUPX-UHFFFAOYSA-N |
| MDL Number | MFCD22375070 |
| Molecular Formula | C14H10FNS |
| Molecular Weight | 243.2993 |
| SMILES | CSc1ccc(cc1)c1ccc(c(c1)F)C#N |
| Synonyms | 2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzonitrile,
1381944-29-1,
ACMC-209cfo,
CTK8B0702,
DTXSID40743025,
ANW-20386,
MFCD22375070,
ZINC85477279,
AKOS026673117,
TC-109131,
V2806,
[1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-4'-(methylthio)-,
3-Fluoro-4'-(methylsulfanyl)[1,1'-biphenyl]-4-carbonitrile,
C14H10FNS,
B-8927,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.299g/mol |
| Monoisotopic Mass | 243.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number