chempirical

Fomesafen

C15H10ClF3N2O6SCAS 72178-02-0438.76 g/mol

Open in Covalent MOL file
SOONHOOFFFClN+OO−
Alkyl halideAryl halideEtherNitro

Properties

Molecular formula
C15H10ClF3N2O6S
Molar mass
438.76 g/mol
Exact mass
437.9900 Da
Density
1.28 g/mL (at 20 °C)
Melting point
220–221 °C
logP
4.32Crippen estimate
Polar surface area
119.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
72178-02-0
SMILES
CS(=O)(=O)N=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIKey
BGZZWXTVIYUUEY-UHFFFAOYSA-N
InChI
InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Benzamide, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitro-
  • 5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide
  • Flex
  • N-Methanesulfonyl-5-[(2-chloro-α,α,α-trifluoro-4-tolyl)oxy]-2-nitrobenzamide
  • Reflex
  • Flexstar
  • PP021
  • Reflex (herbicide)

Work with Fomesafen

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acifluorfen50594-66-668 % similar Fluoroglycofen77501-60-161 % similar Fluoroglycofen-ethyl77501-90-758 % similar Oxyfluorfen42874-03-357 % similar Lactofen77501-63-454 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-947 % similar Bifenox42576-02-346 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia