chempirical

Acifluorfen

C14H7ClF3NO5CAS 50594-66-6361.66 g/mol

Open in Covalent MOL file
OHOOFFFClN+OO−
Alkyl halideAryl halideCarboxylic acidEtherNitro

Properties

Molecular formula
C14H7ClF3NO5
Molar mass
361.66 g/mol
Exact mass
360.9965 Da
Melting point
150 °C
logP
4.76Crippen estimate
Polar surface area
89.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
50594-66-6
SMILES
O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIKey
NUFNQYOELLVIPL-UHFFFAOYSA-N
InChI
InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)

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Names and synonyms

7 names
  • Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-
  • 5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
  • 2-Nitro-5-(2-chloro-4-trifluoromethylphenoxy)benzoic acid
  • 3-Carboxy-2′-chloro-4′-trifluoromethyl-4-nitrodiphenyl ether
  • PPG 847
  • Acifluorfene
  • Acifluorfen H

Work with Acifluorfen

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

Fluoroglycofen77501-60-172 % similar Fomesafen72178-02-068 % similar Fluoroglycofen-ethyl77501-90-766 % similar Oxyfluorfen42874-03-363 % similar Lactofen77501-63-460 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-955 % similar Bifenox42576-02-352 % similar 5-Chloro-2-nitrobenzoic acid2516-95-250 % similar

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

Elsewhere

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