| CAS Number | 717101-37-6 |
| Catalog Number | AG005QJP(AGN-PC-0BGIC8) |
| Chemical Name | 2-(3,5-Difluorophenyl)benzonitrile |
| IUPAC Name | 2-(3,5-difluorophenyl)benzonitrile |
| InChI | InChI=1S/C13H7F2N/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-16/h1-7H |
| InChI Key | AQCYAMXHSJNFME-UHFFFAOYSA-N |
| MDL Number | MFCD20529502 |
| Molecular Formula | C13H7F2N |
| Molecular Weight | 215.1982 |
| SMILES | N#Cc1ccccc1c1cc(F)cc(c1)F |
| Synonyms | 2-(3,5-Difluorophenyl)benzonitrile,
717101-37-6,
ACMC-209ojw,
CTK8B2221,
DTXSID50718401,
ANW-36090,
KM1427,
MFCD20529502,
ZINC74937843,
CJ-21801,
TC-124835,
V7460,
3',5'-Difluoro[1,1'-biphenyl]-2-carbonitrile,
C13H7F2N,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.203g/mol |
| Monoisotopic Mass | 215.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number