| CAS Number | 31835-63-9 |
| Catalog Number | AG003L90(AGN-PC-0LOCC6) |
| Chemical Name | 4-Cyano-4'-nitrodiphenyl |
| IUPAC Name | 4-(4-nitrophenyl)benzonitrile |
| InChI | InChI=1S/C13H8N2O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)15(16)17/h1-8H |
| InChI Key | QHWXJDVNOZETQM-UHFFFAOYSA-N |
| MDL Number | MFCD00191623 |
| Molecular Formula | C13H8N2O2 |
| Molecular Weight | 224.2148 |
| SMILES | [O-][N+](=O)c1ccc(cc1)-c1ccc(cc1)C#N |
| Synonyms | 4-Cyano-4'-nitrodiphenyl,
31835-63-9,
4-(4-nitrophenyl)benzonitrile,
4-Cyano-4'-nitrobiphenyl,
4'-nitro-[1,1'-biphenyl]-4-carbonitrile,
AC1NP8VR,
4-cyano-4'-nitro-biphenyl,
SCHEMBL2961542,
4'-nitrobiphenyl-4-carbonitrile,
DTXSID80409416,
QHWXJDVNOZETQM-UHFFFAOYSA-N,
KS-000012ZW,
ZINC2556911,
MFCD00191623,
AKOS024342498,
MCULE-5586218102,
I14-86072,
c1301,
CID5200108,
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| Complexity | 312 |
| 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 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number