CAS: 765940-93-0
Nombre: 2-bromo-4-propan-2-ylcyclohexan-1-one
SMILES:
CC(C)C1CCC(=O)C(C1)BrMolecular Processing
Molecular formula
C9H15BrO
Molecular weight
219.12
Exact mass
218.0306
XLogP
2.78
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
49.9
Supplementary Information
InChIKey: DWDUCMMIILBMMZ-UHFFFAOYSA-N
Sinónimos
2-bromo-4-isopropyl-cyclohexanoneSCHEMBL3540533DWDUCMMIILBMMZ-UHFFFAOYSA-NAKOS012000407765940-93-0DB-338185
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