chempirical

trans-2-(4-Chlorophenyl)vinylboronic acid

C8H8BClO2CAS 154230-29-2182.41 g/mol

Open in Covalent MOL file
BClHOHO
AlkeneAryl halideBoronic acid

Properties

Molecular formula
C8H8BClO2
Molar mass
182.41 g/mol
Exact mass
182.0306 Da
logP
1.37Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Double bonds
EE/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
154230-29-2
SMILES
B(/C=C/C1=CC=C(C=C1)Cl)(O)O
InChIKey
HWSDRAPTZRYXHN-AATRIKPKSA-N
InChI
InChI=1S/C8H8BClO2/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,11-12H/b6-5+

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Work with trans-2-(4-Chlorophenyl)vinylboronic acid

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

Styrylboronic acid6783-05-759 % similar trans-2-(4-Fluorophenyl)vinylboronic acid214907-24-159 % similar 4-Chlorocinnamaldehyde49678-02-645 % similar 4-Chlorocinnamic acid1615-02-744 % similar 4-Chlorobenzaldehyde104-88-141 % similar 4-Chlorostyrene1073-67-241 % similar (4-Chlorophenyl)boronic acid1679-18-141 % similar 4,4'-Dichlorochalcone19672-59-441 % similar

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

Elsewhere

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