1,3-Dichloro-2-fluoro-5-nitrobenzene

C₆H₂Cl₂FNO₂CAS 3107-19-5209.99 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂Cl₂FNO₂
Molar mass: 209.99 g/mol
Exact mass: 208.9447 Da
Melting point: 44 °C
logP: 3.04Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

3107-19-5

SMILES

O=[N+]([O-])c1cc(Cl)c(F)c(Cl)c1

InChIKey

VMAATSFMXSMKPG-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl2FNO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H

Weigh it out

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

Names and synonyms

2 names

Benzene, 1,3-dichloro-2-fluoro-5-nitro-
3,5-Dichloro-4-fluoronitrobenzene

Work with 1,3-Dichloro-2-fluoro-5-nitrobenzene

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-2,3-difluoro-5-nitrobenzene53780-44-280 % similar 1,2,3-Trichloro-5-nitrobenzene20098-48-066 % similar 2,6-Dichloro-4-nitrophenol618-80-461 % similar 2,6-Dichloro-4-nitroaniline99-30-961 % similar 1,3-Dichloro-2-methoxy-5-nitrobenzene17742-69-761 % similar 3-Chloro-4-fluoronitrobenzene350-30-161 % similar 3,4,5-Trifluoronitrobenzene66684-58-060 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-259 % similar

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

Same formula

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-8 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-3 2,6-Dichloro-5-fluoronicotinic acid82671-06-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook