chempirical

(Z)-1-Chloro-2-(3-chloro-2-(4-fluorophenyl)prop-1-en-1-yl)benzene

C15H11Cl2FCAS 133001-05-5281.15 g/mol

Open in Covalent MOL file
FClCl
AlkeneAlkyl halideAryl halide

Properties

Molecular formula
C15H11Cl2F
Molar mass
281.15 g/mol
Exact mass
280.0222 Da
logP
5.26Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3
Double bonds
ZE/Z, in SMILES order

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
133001-05-5
SMILES
Fc1ccc(/C(=C/c2ccccc2Cl)CCl)cc1
InChIKey
JSTUCVNHFRSOGR-UKTHLTGXSA-N
InChI
InChI=1S/C15H11Cl2F/c16-10-13(11-5-7-14(18)8-6-11)9-12-3-1-2-4-15(12)17/h1-9H,10H2/b13-9+

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Names and synonyms

4 names
  • 1-Chloro-2-[(1Z)-3-chloro-2-(4-fluorophenyl)-1-propen-1-yl]benzene
  • Benzene, 1-chloro-2-[(1Z)-3-chloro-2-(4-fluorophenyl)-1-propen-1-yl]-
  • Benzene, 1-chloro-2-[3-chloro-2-(4-fluorophenyl)-1-propenyl]-, (Z)-
  • Z-3-Chloro-2-(4-fluorophenyl)-1-(2-chlorophenyl)propene

Work with (Z)-1-Chloro-2-(3-chloro-2-(4-fluorophenyl)prop-1-en-1-yl)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

2-Chloro-4'-fluorobenzophenone1806-23-143 % similar 2-Chloro-4′-fluoroacetophenone456-04-241 % similar Cs gas2698-41-140 % similar 2-Chloro-1-(chloromethyl)-4-fluorobenzene93286-22-738 % similar 2-Chloro-5-fluorobenzaldehyde84194-30-937 % similar 2-Chloro-4'-fluoropropiophenone347-93-336 % similar 2-Chloro-N-(3-fluorophenyl)acetamide350-81-236 % similar (2-Chlor-5-iod-phenyl)-(4-fluoro-phenyl)-methanone915095-86-236 % similar

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

Elsewhere

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