| CAS Number | 935552-89-9 |
| Catalog Number | AG00IHO1 |
| Chemical Name | 4-(3,5-Dimethylphenyl)benzonitrile |
| IUPAC Name | 4-(3,5-dimethylphenyl)benzonitrile |
| InChI | InChI=1S/C15H13N/c1-11-7-12(2)9-15(8-11)14-5-3-13(10-16)4-6-14/h3-9H,1-2H3 |
| InChI Key | XRXGVDHXCUMXEW-UHFFFAOYSA-N |
| MDL Number | MFCD21609633 |
| Molecular Formula | C15H13N |
| Molecular Weight | 207.2704 |
| SMILES | N#CC1=CC=C(C2=CC(C)=CC(C)=C2)C=C1 |
| Synonyms | 4-(3,5-Dimethylphenyl)benzonitrile,
935552-89-9,
ACMC-209rmg,
CTK8B2717,
DTXSID80648722,
ANW-40070,
MFCD21609633,
ZINC75873102,
CJ-21867,
TC-128815,
B-8618,
3',5'-Dimethyl[1,1'-biphenyl]-4-carbonitrile,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.276g/mol |
| Monoisotopic Mass | 207.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number