| CAS Number | 682757-41-1 |
| Catalog Number | AG00IBT2(AGN-PC-04Y1IC) |
| Chemical Name | 4-fluoro-N,N-dimethyl-3-nitrobenzamide |
| IUPAC Name | 4-fluoro-N,N-dimethyl-3-nitrobenzamide |
| InChI | InChI=1S/C9H9FN2O3/c1-11(2)9(13)6-3-4-7(10)8(5-6)12(14)15/h3-5H,1-2H3 |
| InChI Key | ZPSIPYXUASFMTQ-UHFFFAOYSA-N |
| MDL Number | MFCD11855354 |
| Molecular Formula | C9H9FN2O3 |
| Molecular Weight | 212.1778 |
| SMILES | CN(C(C1=CC([N+]([O-])=O)=C(F)C=C1)=O)C |
| Synonyms | 4-fluoro-N,N-dimethyl-3-nitrobenzamide,
682757-41-1,
SCHEMBL3585691,
ZPSIPYXUASFMTQ-UHFFFAOYSA-N,
STK498188,
ZINC32579624,
AKOS000370704,
MCULE-4675233698,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.18g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number