| CAS Number | 1352318-42-3 |
| Catalog Number | AG007LHN(AGN-PC-0BGIBB) |
| Chemical Name | 4-(4-Fluoro-3-methylphenyl)benzonitrile |
| IUPAC Name | 4-(4-fluoro-3-methylphenyl)benzonitrile |
| InChI | InChI=1S/C14H10FN/c1-10-8-13(6-7-14(10)15)12-4-2-11(9-16)3-5-12/h2-8H,1H3 |
| InChI Key | MYTGNPVETVZUNG-UHFFFAOYSA-N |
| MDL Number | MFCD20529467 |
| Molecular Formula | C14H10FN |
| Molecular Weight | 211.2343 |
| SMILES | N#Cc1ccc(cc1)c1ccc(c(c1)C)F |
| Synonyms | 4-(4-Fluoro-3-methylphenyl)benzonitrile,
1352318-42-3,
ACMC-209bz4,
CTK8B0310,
DTXSID00718375,
ANW-19790,
MFCD20529467,
ZINC74937806,
CJ-21782,
TC-108535,
Z9876,
B-8478,
4'-Fluoro-3'-methyl[1,1'-biphenyl]-4-carbonitrile,
C14H10FN,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.239g/mol |
| Monoisotopic Mass | 211.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number