chempirical

2,3-Dihydro-1-benzofuran-5-carbonyl chloride

C9H7ClO2CAS 55745-71-6182.60 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C9H7ClO2
Molar mass
182.60 g/mol
Exact mass
182.0135 Da
logP
2.00Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
55745-71-6
SMILES
C1COC2=C1C=C(C=C2)C(=O)Cl
InChIKey
YQCKMNRXXRJGIZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClO2/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2

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Work with 2,3-Dihydro-1-benzofuran-5-carbonyl chloride

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

2,3-Dihydrobenzo(b)furan-5-carboxylic acid76429-73-762 % similar 1-(2,3-Dihydro-5-benzofuranyl)ethanone90843-31-562 % similar Piperonyloyl chloride25054-53-958 % similar 3,4-Dimethoxybenzoyl chloride3535-37-350 % similar 2,3-Dihydro-5-benzofuranacetic acid69999-16-248 % similar 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride127163-51-348 % similar 5-Bromo-2,3-dihydro-1-benzofuran66826-78-647 % similar 2,3-Dihydrobenzofuran-5-sulfonyl Chloride115010-11-246 % similar

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

Same formula

1-(4-Chlorophenyl)-1,2-propanedione10557-21-8 (2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-6 4-Chlorocinnamic acid1615-02-7 3-(3-Chlorophenyl)-2-propenoic acid1866-38-2 2-Chlorocinnamic acid3752-25-8 6-Chloro-2,3-dihydro-4H-1-benzopyran-4-one37674-72-9 4-Chloro-7-hydroxy-2,3-dihydroinden-1-one81945-10-0

Elsewhere

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