chempirical

2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene

C13H9ClFNO3CAS 443882-99-3281.67 g/mol

Open in Covalent MOL file
ON+O−OFCl
Aryl halideEtherNitro

Properties

Molecular formula
C13H9ClFNO3
Molar mass
281.67 g/mol
Exact mass
281.0255 Da
logP
3.97Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
443882-99-3
SMILES
O=[N+]([O-])c1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIKey
SFTHVDYRPHJAND-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClFNO3/c14-12-7-11(16(17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2

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Names and synonyms

6 names
  • 2-Chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene
  • Benzene, 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitro-
  • 2-Chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene
  • 1-Fluoro-3-[(4-nitro-2-chlorophenoxy)methyl]benzene
  • 3-Chloro-4-[(3-fluorobenzyl)oxy]nitrobenzene
  • 4-(3-Fluorobenzyloxy)-3-chloronitrobenzene

Work with 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene

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

3-Chloro-4-(3-fluorobenzyloxy)aniline202197-26-058 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-053 % similar 1-Fluoro-3-nitrobenzene402-67-551 % similar 3-Chloro-4-fluoronitrobenzene350-30-150 % similar 2,4′-Dichloro-4-nitrodiphenyl ether22544-07-649 % similar 1,2-Dichloro-4-nitrobenzene99-54-748 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-247 % similar Dicapthon2463-84-545 % similar

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

Same formula

Fluoroquinolonic acid86393-33-1

Elsewhere

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