7-(4-nitrophenyl)-2-sulfanylidene-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate

Chemical Structure Depiction of
7-(4-nitrophenyl)-2-sulfanylidene-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate
Available: 7 mg
Amount:
mg
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Compound characteristics

Compound ID: 8010-7103
Compound Name: 7-(4-nitrophenyl)-2-sulfanylidene-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate
Molecular Weight: 443.88
Molecular Formula: C20 H10 Cl N O5 S2
Smiles: c1cc(ccc1C(=O)Oc1cc(c2ccc(cc2)[N+]([O-])=O)c2c(c1)SC(O2)=S)[Cl]
Stereo: ACHIRAL
logP: 6.0138
logD: 6.0138
logSw: -6.2644
Hydrogen bond acceptors count: 11
Polar surface area: 62.445
InChI Key: NEVCUGNCRSNUGS-UHFFFAOYSA-N
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