Name: 2-(3-bromophenyl)ethyl methanesulfonate
SMILES:
CS(=O)(=O)OCCc1cccc(Br)c1Molecular Processing
Molecular formula
C9H11BrO3S
Molecular weight
279.16
Exact mass
277.9612
XLogP
1.97
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
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
0.333
Molar refractivity
58.64
Supplementary Information
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