| CAS Number | 893734-52-6 |
| Catalog Number | AG003YUX(AGN-PC-0K4NDK) |
| Chemical Name | 4-(3-Fluorophenyl)benzonitrile |
| IUPAC Name | 4-(3-fluorophenyl)benzonitrile |
| InChI | InChI=1S/C13H8FN/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11/h1-8H |
| InChI Key | UYVGIYZVAXQZQD-UHFFFAOYSA-N |
| MDL Number | MFCD05981077 |
| Molecular Formula | C13H8FN |
| Molecular Weight | 197.2077 |
| SMILES | N#CC1=CC=C(C=C1)C1=CC=CC(F)=C1 |
| Synonyms | 4-(3-fluorophenyl)benzonitrile,
893734-52-6,
3'-Fluoro[1,1'-biphenyl]-4-carbonitrile,
AC1LRDFU,
ACMC-209qzx,
SCHEMBL3840739,
CTK8B2603,
DTXSID90362705,
ZINC1259130,
ANW-39259,
MFCD05981077,
AKOS004117562,
CJ-04831,
TC-128004,
BB 0222996,
V8792,
B-8524,
C13H8FN,
CID1393752,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.212g/mol |
| Monoisotopic Mass | 197.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number