Catalog | OFC13311847 |
CAS | 13311-84-7 |
Category | Fluorinated APIs |
Synonyms | Niftolide |
Purity | 98% |
MDL Number | MFCD00072009 |
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IUPAC Name | 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide |
InChI | InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17) |
InChI Key | MKXKFYHWDHIYRV-UHFFFAOYSA-N |
Isomeric SMILES | CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F |
EC Number | 236-341-9 |
Molecular Formula | C11H11F3N2O3 |
Molecular Weight | 276.21 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Exact Mass | 276.07217670 g/mol |
Monoisotopic Mass | 276.07217670 g/mol |
Topological Polar Surface Area | 74.9Ų |
Heavy Atom Count | 19 |
Formal Charge | 0 |
Complexity | 352 |
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