| CAS Number | 75898-34-9 |
| Catalog Number | AG003L8Q(AGN-PC-00HGLK) |
| Chemical Name | 4-Cyano-2-nitrodiphenyl |
| IUPAC Name | 4-(2-nitrophenyl)benzonitrile |
| InChI | InChI=1S/C13H8N2O2/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15(16)17/h1-8H |
| InChI Key | LZUDBRIMDISCJM-UHFFFAOYSA-N |
| MDL Number | MFCD00191622 |
| Molecular Formula | C13H8N2O2 |
| Molecular Weight | 224.2148 |
| SMILES | [O-][N+](=O)C1=C(C=CC=C1)C1=CC=C(C=C1)C#N |
| Synonyms | 4-Cyano-2'-nitrodiphenyl,
75898-34-9,
4-Cyano-2'-nitrobiphenyl,
2'-nitro-[1,1'-biphenyl]-4-carbonitrile,
2'-Nitrobiphenyl-4-carbonitrile,
nitro 4'cyanobiphenyl,
2-Nitro-4'-cyanobiphenyl,
SCHEMBL6981433,
DTXSID50474414,
LZUDBRIMDISCJM-UHFFFAOYSA-N,
ZINC2556910,
MFCD00191622,
4-(2-nitrophenyl)benzonitrile,
c1300,
CID11851114,
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| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.219g/mol |
| Monoisotopic Mass | 224.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^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