Nom: 3,3′-bis(2,2′-dibromoethyl)-5,5′,7,7′-tetramethyl-1,1′-biadamantane
SMILES:
CC12CC3(C)CC(CC(Br)Br)(C1)CC(C14CC5(C)CC(C)(CC(CC(Br)Br)(C5)C1)C4)(C2)C3Molecular Processing
Molecular formula
C28H42Br4
Molecular weight
698.26
Exact mass
694.002
XLogP
10.73
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
5
Heavy atoms
32
Rings
8
Aromatic rings
0
Saturated rings
8
Aliphatic rings
8
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
1
Molar refractivity
150.08
Supplementary Information
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