chempirical

1,3-Dibromoadamantane

C10H14Br2CAS 876-53-9294.03 g/mol

Open in Covalent MOL file
BrBr
Alkyl halide

Properties

Molecular formula
C10H14Br2
Molar mass
294.03 g/mol
Exact mass
291.9462 Da
logP
3.87Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

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
876-53-9
SMILES
C1C2CC3(CC1CC(C2)(C3)Br)Br
InChIKey
HLWZKLMEOVIWRK-UHFFFAOYSA-N
InChI
InChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2

Weigh it out

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Work with 1,3-Dibromoadamantane

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

1,3,5-Tribromoadamantane707-34-671 % similar 1-Bromoadamantane768-90-171 % similar 1-Bromo-3-methyladamantane702-77-268 % similar 3-Bromo-1-adamantanecarboxylic acid21816-08-054 % similar 1,3,5,7-Tetrabromoadamantane7314-86-550 % similar 1-Bromo-3,5-dimethyladamantane941-37-744 % similar Adamantane-1,3-diamine10303-95-443 % similar 1,3-Dihydroxyadamantane5001-18-341 % similar

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

Elsewhere

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