| CAS Number | 920490-72-8 |
| Catalog Number | AG0061K2(AGN-PC-00QSBZ) |
| Chemical Name | 2(1H)-Pyridinone, 3-bromo-4-methoxy-1-methyl- |
| IUPAC Name | 3-bromo-4-methoxy-1-methylpyridin-2-one |
| InChI | InChI=1S/C7H8BrNO2/c1-9-4-3-5(11-2)6(8)7(9)10/h3-4H,1-2H3 |
| InChI Key | WYDQWSLLEDKSKL-UHFFFAOYSA-N |
| MDL Number | MFCD22380500 |
| Molecular Formula | C7H8BrNO2 |
| Molecular Weight | 218.0479 |
| SMILES | O=C1C(Br)=C(OC)C=CN1C |
| Synonyms | 3-Bromo-4-methoxy-1-methylpyridin-2(1H)-one,
920490-72-8,
2(1H)-Pyridinone, 3-bromo-4-methoxy-1-methyl-,
CTK3H1595,
DTXSID50580822,
MFCD22380500,
ZINC34849944,
AS-40992,
3-Bromo-1-methyl-4-methoxypyridin-2(1H)-one,
3-BROMO-4-METHOXY-1-METHYLPYRIDIN-2-ONE,
3-bromo-4-methoxy-1-methylpyridin-2(1H)-one, 95% - 1G 1g,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.05g/mol |
| Monoisotopic Mass | 216.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number