| CAS Number | 1381944-86-0 |
| Catalog Number | AG00187B(AGN-PC-0WAABW) |
| Chemical Name | 4-Cyano-3,3'-difluoro-4'-methylbiphenyl |
| IUPAC Name | 2-fluoro-4-(3-fluoro-4-methylphenyl)benzonitrile |
| InChI | InChI=1S/C14H9F2N/c1-9-2-3-10(6-13(9)15)11-4-5-12(8-17)14(16)7-11/h2-7H,1H3 |
| InChI Key | YCRBIMAMFQJRTM-UHFFFAOYSA-N |
| MDL Number | MFCD22375063 |
| Molecular Formula | C14H9F2N |
| Molecular Weight | 229.2248 |
| SMILES | N#Cc1ccc(cc1F)c1ccc(c(c1)F)C |
| Synonyms | 4-Cyano-3,3'-difluoro-4'-methylbiphenyl,
1381944-86-0,
ACMC-209ch2,
C14H9F2N,
CTK8B0752,
DTXSID50743071,
ANW-20436,
MFCD22375063,
ZINC85477343,
TC-109181,
V2857,
B-9568,
3,3'-Difluoro-4'-methyl[1,1'-biphenyl]-4-carbonitrile,
[1,1'-Biphenyl]-4-carbonitrile, 3,3'-difluoro-4'-methyl-,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.23g/mol |
| Monoisotopic Mass | 229.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number