Acifluorfen

C₁₄H₇ClF₃NO₅CAS 50594-66-6361.66 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic acid Ether Nitro

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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H315 Causes skin irritationSkin corrosion/irritation
H318 Causes serious eye damageSerious eye damage/eye irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 604-041-00-0[1]), via PubChem.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, P501

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)

Weigh it out

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

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 2-Nitro-4-trifluoromethylbenzoic acid320-94-558 % similar 1-(4-Chloro-3-methylphenoxy)-2-nitro-4-(trifluoromethyl)benzene1799-97-956 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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