| CAS Number | 501427-87-8 |
| Catalog Number | AG00DAF4(AGN-PC-0K4MYB) |
| Chemical Name | 2-[3-(Trifluoromethyl)phenyl]benzonitrile |
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]benzonitrile |
| InChI | InChI=1S/C14H8F3N/c15-14(16,17)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-18/h1-8H |
| InChI Key | MTFLHNLORJOMIW-UHFFFAOYSA-N |
| MDL Number | MFCD05978897 |
| Molecular Formula | C14H8F3N |
| Molecular Weight | 247.2152 |
| SMILES | C(F)(C1=CC=CC(=C1)C1=CC=CC=C1C#N)(F)F |
| Synonyms | 2-[3-(trifluoromethyl)phenyl]benzonitrile,
501427-87-8,
3'-(Trifluoromethyl)[1,1'-biphenyl]-2-carbonitrile,
3'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile,
ACMC-209kka,
AC1LRC4P,
CTK8B1759,
DTXSID30362608,
ZINC1256615,
ANW-30920,
MFCD05978897,
AKOS004118648,
TC-119665,
3'-(Trifluoromethyl)biphenyl-2-carbonitrile,
BB 0223757,
V6224,
B-8519,
C14H8F3N,
CID1392264,
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| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.22g/mol |
| Monoisotopic Mass | 247.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number