| CAS Number | 660440-56-2 |
| Catalog Number | AG00FGVY(AGN-PC-0A404V) |
| Chemical Name | 3-(4-Nitrophenyl)-1H-pyridin-2-one |
| IUPAC Name | 3-(4-nitrophenyl)-1H-pyridin-2-one |
| InChI | InChI=1S/C11H8N2O3/c14-11-10(2-1-7-12-11)8-3-5-9(6-4-8)13(15)16/h1-7H,(H,12,14) |
| InChI Key | OORAHBMLSYDCDV-UHFFFAOYSA-N |
| MDL Number | MFCD20491463 |
| Molecular Formula | C11H8N2O3 |
| Molecular Weight | 216.1928 |
| SMILES | O=c1[nH]cccc1c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 660440-56-2,
3-(4-Nitrophenyl)-1H-pyridin-2-one,
3-(4-Nitrophenyl)pyridin-2(1H)-one,
2(1H)-Pyridinone, 3-(4-nitrophenyl)-,
ACMC-209ntc,
SCHEMBL5073672,
CTK1J5355,
DTXSID00709445,
OORAHBMLSYDCDV-UHFFFAOYSA-N,
ANW-35134,
MFCD20491463,
ZINC74938347,
CJ-21840,
AJ-121567,
AX8243358,
V7167,
B-9700,
C11H8N2O3,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.196g/mol |
| Monoisotopic Mass | 216.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number