| CAS Number | 252921-23-6 |
| Catalog Number | AG00BIEV(AGN-PC-0WRA7X) |
| Chemical Name | Methyl 6-(3-nitrophenyl)pyridine-2-carboxylate |
| IUPAC Name | methyl 6-(3-nitrophenyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C13H10N2O4/c1-19-13(16)12-7-3-6-11(14-12)9-4-2-5-10(8-9)15(17)18/h2-8H,1H3 |
| InChI Key | FKIMDQCPRPBQSA-UHFFFAOYSA-N |
| MDL Number | MFCD22383723 |
| Molecular Formula | C13H10N2O4 |
| Molecular Weight | 258.2295 |
| SMILES | COC(=O)c1cccc(n1)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | Methyl 6-(3-nitrophenyl)pyridine-2-carboxylate,
252921-23-6,
Methyl 6-(3-nitrophenyl)picolinate,
ACMC-209giy,
SCHEMBL6435858,
CTK8B1305,
DTXSID50468217,
ANW-25688,
ZINC85479218,
AKOS027439418,
TC-114433,
V4689,
C13H10N2O4,
CID11536212,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.233g/mol |
| Monoisotopic Mass | 258.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number