| CAS Number | 893734-83-3 |
| Catalog Number | AG003XB4(AGN-PC-0K4NI5) |
| Chemical Name | 3-(3-Fluorophenyl)benzonitrile |
| IUPAC Name | 3-(3-fluorophenyl)benzonitrile |
| InChI | InChI=1S/C13H8FN/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h1-8H |
| InChI Key | OADAGVXZMGUYAH-UHFFFAOYSA-N |
| MDL Number | MFCD05981494 |
| Molecular Formula | C13H8FN |
| Molecular Weight | 197.2077 |
| SMILES | N#CC1=CC=CC(C2=CC=CC(F)=C2)=C1 |
| Synonyms | 3-(3-fluorophenyl)benzonitrile,
893734-83-3,
3'-Fluoro[1,1'-biphenyl]-3-carbonitrile,
AC1LRDVB,
ACMC-209r01,
CTK8B2607,
DTXSID60362737,
ZINC1259903,
ANW-39263,
MFCD05981494,
AKOS004117398,
CJ-04841,
TC-128008,
BB 0223026,
V8795,
B-8607,
C13H8FN,
CID1394194,
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| Complexity | 255 |
| 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