1,3-Dichloro-2,5-difluorobenzene

C₆H₂Cl₂F₂CAS 2367-80-8182.98 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂Cl₂F₂
Molar mass: 182.98 g/mol
Exact mass: 181.9502 Da
Melting point: −10–3.5 °C
Boiling point: 65–66 °C (at 20 Torr)
logP: 3.27Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

2367-80-8

SMILES

Fc1cc(Cl)c(F)c(Cl)c1

InChIKey

XPBKEVCFKWTLHO-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl2F2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

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Names and synonyms

2 names

Benzene, 1,3-dichloro-2,5-difluoro-
2,6-Dichloro-1,4-difluorobenzene

Work with 1,3-Dichloro-2,5-difluorobenzene

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

1,3-Dichloro-2-fluorobenzene2268-05-560 % similar 5-Bromo-1,3-dichloro-2-fluorobenzene17318-08-057 % similar 3,5-Dichloro-4-fluorobenzenamine2729-34-257 % similar 2,6-Dichloro-4-fluorobenzenamine344-19-457 % similar 2,6-Dichloro-4-fluorophenol392-71-257 % similar 1,2-Dichloro-4-fluorobenzene1435-49-052 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-752 % similar 1-Bromo-2-chloro-4,6-diflorobenzene1020198-58-648 % similar

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

Same formula

1,3-Dichloro-2,4-difluorobenzene36556-37-3

Elsewhere

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