chempirical

Lactofen

C19H15ClF3NO7CAS 77501-63-4461.77 g/mol

Open in Covalent MOL file
OOOOOFFFClN+OO−
Alkyl halideAryl halideEsterEtherNitro

Properties

Molecular formula
C19H15ClF3NO7
Molar mass
461.77 g/mol
Exact mass
461.0489 Da
logP
5.17Crippen estimate
Polar surface area
105.0 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
7

Identifiers

CAS number
77501-63-4
SMILES
CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIKey
CONWAEURSVPLRM-UHFFFAOYSA-N
InChI
InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3

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Names and synonyms

7 names
  • Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester
  • 2-Ethoxy-1-methyl-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
  • PPG 844
  • Cobra
  • Cobra (herbicide)
  • Phoenix
  • Phoenix (herbicide)

Work with Lactofen

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

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

Elsewhere

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