Catalog | OFC648410224 |
CAS | 648410-22-4 |
Category | Fluorinated Thiophenes |
Synonyms | methyl 5-(4-fluorophenyl)-3-(2,3,3-trichloroprop-2-enoylamino)thiophene-2-carboxylate |
MDL Number | MFCD00122327 |
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IUPAC Name | methyl 5-(4-fluorophenyl)-3-(2,3,3-trichloroprop-2-enoylamino)thiophene-2-carboxylate |
InChI | InChI=1S/C15H9Cl3FNO3S/c1-23-15(22)12-9(20-14(21)11(16)13(17)18)6-10(24-12)7-2-4-8(19)5-3-7/h2-6H,1H3,(H,20,21) |
InChI Key | CKWDTCWQHSAWBM-UHFFFAOYSA-N |
Isomeric SMILES | COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)C(=C(Cl)Cl)Cl |
Molecular Formula | C15H9Cl3FNO3S |
Molecular Weight | 408.66 |
XLogP3-AA | 5.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 406.935276 g/mol |
Monoisotopic Mass | 406.935276 g/mol |
Topological Polar Surface Area | 83.6Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 522 |
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