| CAS Number | 1266996-50-2 |
| Catalog Number | AG000T49(AGN-PC-0J2C2Q) |
| Chemical Name | 3-(3,5-Difluorophenyl)benzonitrile |
| IUPAC Name | 3-(3,5-difluorophenyl)benzonitrile |
| InChI | InChI=1S/C13H7F2N/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-7H |
| InChI Key | LQGPJBUJWILMAW-UHFFFAOYSA-N |
| MDL Number | MFCD19317325 |
| Molecular Formula | C13H7F2N |
| Molecular Weight | 215.1982 |
| SMILES | N#Cc1cccc(c1)c1cc(F)cc(c1)F |
| Synonyms | 3-(3,5-Difluorophenyl)benzonitrile,
1266996-50-2,
ACMC-209bbi,
CTK8A9928,
DTXSID90742705,
ANW-18940,
MFCD01937325,
ZINC49815761,
CJ-20642,
TC-107685,
Z9333,
3',5'-Difluoro[1,1'-biphenyl]-3-carbonitrile,
[1,1'-Biphenyl]-3-carbonitrile, 3',5'-difluoro-,
C13H7F2N,
43192-03-6,
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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