| CAS Number | 1238333-79-3 |
| Catalog Number | AG000L4X(AGN-PC-0J2C25) |
| Chemical Name | 2-(2-Fluoro-5-methylphenyl)benzonitrile |
| IUPAC Name | 2-(2-fluoro-5-methylphenyl)benzonitrile |
| InChI | InChI=1S/C14H10FN/c1-10-6-7-14(15)13(8-10)12-5-3-2-4-11(12)9-16/h2-8H,1H3 |
| InChI Key | ICBUGFRPHASXDJ-UHFFFAOYSA-N |
| MDL Number | MFCD22375047 |
| Molecular Formula | C14H10FN |
| Molecular Weight | 211.2343 |
| SMILES | N#Cc1ccccc1c1cc(C)ccc1F |
| Synonyms | 2-(2-fluoro-5-methylphenyl)benzonitrile,
1238333-79-3,
ACMC-209apw,
CTK8A9554,
DTXSID70742687,
ANW-18162,
MFCD22375047,
ZINC85472211,
CJ-22342,
TC-106907,
Z8732,
B-9499,
2'-Fluoro-5'-methyl[1,1'-biphenyl]-2-carbonitrile,
[1,1'-Biphenyl]-2-carbonitrile, 2'-fluoro-5'-methyl-,
C14H10FN,
2'-fluoro-5'-methyl-[1,1'-biphenyl]-2-carbonitrile,
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| Complexity | 280 |
| 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