chempirical

1,3-Adamantanedicarbonyl chloride

C12H14Cl2O2CAS 29713-15-3261.14 g/mol

Open in Covalent MOL file
OClOCl
Acyl halide

Properties

Molecular formula
C12H14Cl2O2
Molar mass
261.14 g/mol
Exact mass
260.0371 Da
logP
3.10Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
29713-15-3
SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)Cl)C(=O)Cl
InChIKey
LKRUZYNPJUZODM-UHFFFAOYSA-N
InChI
InChI=1S/C12H14Cl2O2/c13-9(15)11-2-7-1-8(4-11)5-12(3-7,6-11)10(14)16/h7-8H,1-6H2

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Work with 1,3-Adamantanedicarbonyl 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

1-Adamantanecarbonyl chloride2094-72-675 % similar 1,3-Adamantanedicarboxylic acid39269-10-852 % similar 3-Chlorotricyclo[3.3.1.13,7]decane-1-carboxylic acid34859-74-043 % similar 1-Acetyladamantane1660-04-440 % similar 3-Hydroxyadamantane-1-carboxylic acid42711-75-140 % similar 1-Adamantanecarboxylic acid828-51-340 % similar 3-Bromo-1-adamantanecarboxylic acid21816-08-039 % similar Adamantyl bromomethyl ketone5122-82-738 % similar

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

Elsewhere

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