Name: (3-hydroxy-5-methylphenyl) 2-chlorobenzenesulfonate
SMILES:
CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OMolecular Processing
Molecular formula
C13H11ClO4S
Molecular weight
298.75
Exact mass
298.0067
XLogP
3.12
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
72.11
Supplementary Information
InChIKey: IYGMCDMURWZLNR-UHFFFAOYSA-N
Synonyme
SCHEMBL5676119IYGMCDMURWZLNR-UHFFFAOYSA-N3-(2-Chlorophenylsulfonyloxy)-5-methylphenol2-chlorobenzenesulfonic acid 3-hydroxy-5-methylphenyl ester
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