| CAS Number | 1352318-13-8 |
| Catalog Number | AG009WL3(AGN-PC-0WRADS) |
| Chemical Name | 3-(4-Nitrophenyl)pyridine-2-carbonitrile |
| IUPAC Name | 3-(4-nitrophenyl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C12H7N3O2/c13-8-12-11(2-1-7-14-12)9-3-5-10(6-4-9)15(16)17/h1-7H |
| InChI Key | IUQDELCNNJFVHX-UHFFFAOYSA-N |
| MDL Number | MFCD20491460 |
| Molecular Formula | C12H7N3O2 |
| Molecular Weight | 225.2029 |
| SMILES | N#Cc1ncccc1c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 3-(4-Nitrophenyl)pyridine-2-carbonitrile,
1352318-13-8,
3-(4-Nitrophenyl)picolinonitrile,
ACMC-209byi,
CTK8B0288,
DTXSID70718584,
ANW-19768,
MFCD20491460,
ZINC74938341,
CJ-21837,
TC-108513,
Z9856,
B-9698,
C12H7N3O2,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.207g/mol |
| Monoisotopic Mass | 225.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number