chempirical

Fluoroglycofen

C16H9ClF3NO7CAS 77501-60-1419.69 g/mol

Open in Covalent MOL file
OHOOOOFFFClN+OO−
Alkyl halideAryl halideCarboxylic acidEsterEtherNitro

Properties

Molecular formula
C16H9ClF3NO7
Molar mass
419.69 g/mol
Exact mass
419.0020 Da
logP
4.30Crippen estimate
Polar surface area
116.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6

Identifiers

CAS number
77501-60-1
SMILES
O=C(O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIKey
DHAHEVIQIYRFRG-UHFFFAOYSA-N
InChI
InChI=1S/C16H9ClF3NO7/c17-11-5-8(16(18,19)20)1-4-13(11)28-9-2-3-12(21(25)26)10(6-9)15(24)27-7-14(22)23/h1-6H,7H2,(H,22,23)

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Names and synonyms

3 names
  • Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, carboxymethyl ester
  • Benzofluorfen
  • Yisuofucaomi

Work with Fluoroglycofen

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

Fluoroglycofen-ethyl77501-90-778 % similar Acifluorfen50594-66-672 % similar Lactofen77501-63-464 % similar Fomesafen72178-02-061 % similar Oxyfluorfen42874-03-358 % similar Bifenox42576-02-353 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-948 % similar 2-Nitro-4-(trifluoromethyl)benzeneacetic acid1735-91-746 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook