chempirical

5-(tert-Butyl)-2-methylfuran-3-carbonyl chloride

C10H13ClO2CAS 96543-75-8200.66 g/mol

Open in Covalent MOL file
OOCl
Acyl halide

Properties

Molecular formula
C10H13ClO2
Molar mass
200.66 g/mol
Exact mass
200.0604 Da
logP
3.26Crippen estimate
Polar surface area
30.2 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
96543-75-8
SMILES
CC1=C(C=C(O1)C(C)(C)C)C(=O)Cl
InChIKey
QWHLGIQXPRQHQN-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClO2/c1-6-7(9(11)12)5-8(13-6)10(2,3)4/h5H,1-4H3

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Work with 5-(tert-Butyl)-2-methylfuran-3-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

5-(tert-Butyl)-2-methyl-3-furoic acid38422-62-762 % similar 2,5-Dimethyl-3-furancarbonyl chloride50990-93-760 % similar 5-Methyl-1,2-oxazole-4-carbonyl chloride67305-24-244 % similar 4-tert-Butylbenzoyl chloride1710-98-138 % similar 2,4-Dimethylbenzoyl chloride21900-42-537 % similar 3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride160842-62-636 % similar 2-Methylbenzoyl chloride933-88-036 % similar 5-Methylfuran-2-carbonyl chloride14003-11-335 % similar

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

Same formula

2-Chloro-1,4-diethoxybenzene52196-74-4

Elsewhere

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