| CAS Number | 1616526-85-2 |
| Catalog Number | AG001VRP(AGN-PC-0WANDX) |
| Chemical Name | 5-Fluoro-1-methyl-3-nitropyridin-2(1H)-one |
| IUPAC Name | 5-fluoro-1-methyl-3-nitropyridin-2-one |
| InChI | InChI=1S/C6H5FN2O3/c1-8-3-4(7)2-5(6(8)10)9(11)12/h2-3H,1H3 |
| InChI Key | WTGWOLKLHVCEOJ-UHFFFAOYSA-N |
| MDL Number | MFCD28099326 |
| Molecular Formula | C6H5FN2O3 |
| Molecular Weight | 172.1139 |
| SMILES | O=C1C([N+]([O-])=O)=CC(F)=CN1C |
| Synonyms | 5-Fluoro-1-methyl-3-nitropyridin-2(1H)-one,
1616526-85-2,
AK155862,
SCHEMBL16794657,
MFCD28099326,
ZINC98086057,
AKOS024261331,
DS-3176,
FCH2572248,
5-fluoro-1-methyl-3-nitropyridin-2-one,
AJ-138513,
ST2406240,
2(1H)-Pyridinone, 5-fluoro-1-methyl-3-nitro-,
5-fluoro-1-methyl-3-nitro-1,2-dihydropyridin-2-one,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.115g/mol |
| Monoisotopic Mass | 172.028g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number