| CAS Number | 713079-19-7 |
| Catalog Number | AG005VSY(AGN-PC-00531K) |
| Chemical Name | 3-(3,5-Dimethylphenyl)benzonitrile |
| IUPAC Name | 3-(3,5-dimethylphenyl)benzonitrile |
| InChI | InChI=1S/C15H13N/c1-11-6-12(2)8-15(7-11)14-5-3-4-13(9-14)10-16/h3-9H,1-2H3 |
| InChI Key | QBYQOHMDGQMIQB-UHFFFAOYSA-N |
| MDL Number | MFCD19316255 |
| Molecular Formula | C15H13N |
| Molecular Weight | 207.2704 |
| SMILES | N#Cc1cccc(c1)c1cc(C)cc(c1)C |
| Synonyms | 3-(3,5-dimethylphenyl)benzonitrile,
713079-19-7,
ACMC-209oi2,
SCHEMBL16201554,
CTK8B2214,
DTXSID20459793,
ANW-36024,
MFCD19316255,
ZINC49813986,
CJ-20641,
TC-124769,
3',5'-Dimethyl-1,1'-biphenyl-3-carbonitrile,
B-8623,
CID11241223,
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| Complexity | 264 |
| 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