chempirical

Bifenox

C14H9Cl2NO5CAS 42576-02-3342.13 g/mol

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OOOClClN+OO−
Aryl halideEsterEtherNitro

Properties

Molecular formula
C14H9Cl2NO5
Molar mass
342.13 g/mol
Exact mass
340.9858 Da
Density
1.16 g/mL
Melting point
85 °C
logP
4.48Crippen estimate
Polar surface area
78.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
42576-02-3
SMILES
COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChIKey
SUSRORUBZHMPCO-UHFFFAOYSA-N
InChI
InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3

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Names and synonyms

14 names · show all
  • Benzoic acid, 5-(2,4-dichlorophenoxy)-2-nitro-, methyl ester
  • Modown
  • MC 4379
  • Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
  • 2,4-Dichlorophenyl 3-(methoxycarbonyl)-4-nitrophenyl ether
  • 2,4-Dichlorophenyl 3′-carbomethoxy-4′-nitrophenyl ether
  • Biphenox
  • 2,4-Dichlorophenyl-3′-methoxycarbonyl-4′-nitrophenyl ether
  • MC 79
  • 3-Carbomethoxy-2′,4′-dichloro-4-nitrodiphenyl ether
  • Modown 4F
  • Weeral
  • Fox
  • Jiazhichucaomi

Work with Bifenox

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

Methyl 5-chloro-2-nitrobenzoate51282-49-671 % similar 2-Nitro-4-chlorobenzoic acid methyl ester42087-80-962 % similar Nitrofen1836-75-557 % similar Fluoroglycofen77501-60-153 % similar Fluoroglycofen-ethyl77501-90-753 % similar Methyl 5-fluoro-2-nitrobenzoate393-85-153 % similar Acifluorfen50594-66-652 % similar Methyl 2,4-dichlorobenzoate35112-28-851 % similar

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

Elsewhere

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