| CAS Number | 1519917-98-6 |
| Catalog Number | AG00ASMT(AGN-PC-0WAGXW) |
| Chemical Name | 3-Bromo-N-methoxy-N-methyl-5-nitrobenzamide |
| IUPAC Name | 3-bromo-N-methoxy-N-methyl-5-nitrobenzamide |
| InChI | InChI=1S/C9H9BrN2O4/c1-11(16-2)9(13)6-3-7(10)5-8(4-6)12(14)15/h3-5H,1-2H3 |
| InChI Key | GRINWUSYNUMATI-UHFFFAOYSA-N |
| MDL Number | MFCD25132888 |
| Molecular Formula | C9H9BrN2O4 |
| Molecular Weight | 289.0828 |
| SMILES | CON(C)C(=O)C1=CC(=CC(Br)=C1)[N+]([O-])=O |
| Synonyms | 3-Bromo-N-methoxy-N-methyl-5-nitrobenzamide,
1519917-98-6,
SCHEMBL17064867,
KS-00000SS2,
MFCD25132888,
AKOS020108866,
ZINC160112657,
DS-8539,
AK164325,
ST24041964,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.085g/mol |
| Monoisotopic Mass | 287.975g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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