| CAS Number | 863604-64-2 |
| Catalog Number | AG00IE10(AGN-PC-0C0Q48) |
| Chemical Name | 3-fluoro-N-methoxy-N-methyl-4-nitrobenzamide |
| IUPAC Name | 3-fluoro-N-methoxy-N-methyl-4-nitrobenzamide |
| InChI | InChI=1S/C9H9FN2O4/c1-11(16-2)9(13)6-3-4-8(12(14)15)7(10)5-6/h3-5H,1-2H3 |
| InChI Key | HSCCKBPILZXRSV-UHFFFAOYSA-N |
| MDL Number | MFCD16845677 |
| Molecular Formula | C9H9FN2O4 |
| Molecular Weight | 228.1772 |
| SMILES | CON(C)C(=O)C1=CC=C(C(F)=C1)[N+]([O-])=O |
| Synonyms | 3-FLUORO-N-METHOXY-N-METHYL-4-NITROBENZAMIDE,
863604-64-2,
Benzamide, 3-fluoro-N-methoxy-N-methyl-4-nitro-,
SCHEMBL989106,
HSCCKBPILZXRSV-UHFFFAOYSA-N,
MFCD16845677,
ZINC54416345,
AKOS011975426,
AK332594,
DS-12113,
N-[methyl]N-[methoxy]3-fluoro-4-nitrobenzamide,
N-[methyl]-N-[methoxy]-3-fluoro-4-nitrobenzamide,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.179g/mol |
| Monoisotopic Mass | 228.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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