7-(2-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate

Chemical Structure Depiction of
7-(2-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
Available: 235 mg
Amount:
mg
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Compound characteristics

Compound ID: D037-0978
Compound Name: 7-(2-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
Molecular Weight: 407.4
Molecular Formula: C21 H13 N O6 S
Smiles: Cc1ccccc1c1cc(cc2c1OC(=O)S2)OC(c1ccc(cc1)[N+]([O-])=O)=O
Stereo: ACHIRAL
logP: 4.9593
logD: 4.9593
logSw: -4.6804
Hydrogen bond acceptors count: 11
Polar surface area: 75.483
InChI Key: RHXJXDVTJRLYLU-UHFFFAOYSA-N
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