4-Chloro-2,3-difluoronitrobenzene

C₆H₂ClF₂NO₂CAS 169468-80-8193.53 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂ClF₂NO₂
Molar mass: 193.53 g/mol
Exact mass: 192.9742 Da
logP: 2.53Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

169468-80-8

SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])F)F)Cl

InChIKey

OFQRRFRIDGZHSC-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClF2NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

Weigh it out

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

Names and synonyms

1 names

1-Chloro-2,3-difluoro-4-nitrobenzene

Work with 4-Chloro-2,3-difluoronitrobenzene

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

1-Chloro-2-fluoro-3-nitrobenzene2106-49-277 % similar 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-375 % similar 1,2,3-Trifluoro-4-nitrobenzene771-69-763 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-559 % similar 2,3,4-Trichloronitrobenzene17700-09-358 % similar 1,2-Difluoro-3-nitrobenzene6921-22-858 % similar 2-Chloro-4-fluoro-1-nitrobenzene2106-50-557 % similar 1,4-Dichloro-2-nitrobenzene89-61-256 % similar

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

Same formula

1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-1 2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-1 2-Chloro-1,3-difluoro-4-nitrobenzene3847-58-3 1-Chloro-2,3-difluoro-5-nitrobenzene53780-44-2

Elsewhere

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