| CAS Number | 1111110-56-5 |
| Catalog Number | AG007TTB(AGN-PC-0WA6SS) |
| Chemical Name | 2(1H)-Pyridinone, 6-(3-nitrophenyl)- |
| IUPAC Name | 6-(3-nitrophenyl)-1H-pyridin-2-one |
| InChI | InChI=1S/C11H8N2O3/c14-11-6-2-5-10(12-11)8-3-1-4-9(7-8)13(15)16/h1-7H,(H,12,14) |
| InChI Key | HQDFUSNTLWVWBQ-UHFFFAOYSA-N |
| MDL Number | MFCD11876117 |
| Molecular Formula | C11H8N2O3 |
| Molecular Weight | 216.1928 |
| SMILES | N(=O)(=O)c1cc(ccc1)c1[nH]c(=O)ccc1 |
| Synonyms | 6-(3-Nitrophenyl)pyridin-2-ol,
1111110-56-5,
2-HYDROXY-6-(3-NITROPHENYL)PYRIDINE,
ACMC-20998d,
CTK8A9243,
DTXSID10682795,
ANW-16235,
MFCD11876117,
ZINC65339172,
AKOS015892182,
6-(3-Nitrophenyl)pyridin-2(1H)-one,
AJ-115264,
AX8229068,
TC-104980,
ST24024211,
Z7341,
B-6449,
I02-3553,
C11H8N2O3,
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| Complexity | 368 |
| 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
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Certificate of Analysis
Lot Number