Nombre: (4-bromo-2-propan-2-ylphenyl) methanesulfonate
SMILES:
CC(C)C1=C(C=CC(=C1)Br)OS(=O)(=O)CMolecular Processing
Molecular formula
C10H13BrO3S
Molecular weight
293.18
Exact mass
291.9769
XLogP
2.91
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
63.7
Supplementary Information
InChIKey: KKQXUCVTGNLIMA-UHFFFAOYSA-N
Sinónimos
SCHEMBL3196754KKQXUCVTGNLIMA-UHFFFAOYSA-N4-bromo-2-isopropylphenyl methanesulfonate
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