이름: 4-bromo-2,5-diisopropylbenzenethiol
SMILES:
CC(C)c1cc(Br)c(C(C)C)cc1SMolecular Processing
Molecular formula
C12H17BrS
Molecular weight
273.24
Exact mass
272.0234
XLogP
4.98
TPSA
0
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
69.57
Supplementary Information
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