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5-chloro-3-hydroxy-2,3-dihydro-1??-benzothiophene-1,1-dione

5-chloro-3-hydroxy-2,3-dihydro-1??-benzothiophene-1,1-dione

CAS: 1353878-07-5

Formula: C8H7ClO3S

SMILES: OC1CS(=O)(=O)C2=C1C=C(Cl)C=C2

IUPAC: 5-chloro-3-hydroxy-2,3-dihydro-1??-benzothiophene-1,1-dione

InChI: InChI=1/C8H7ClO3S/c9-5-1-2-8-6(3-5)7(10)4-13(8,11)12/h1-3,7,10H,4H2

Composition: C (43.95%), H (3.23%), Cl (16.21%), O (21.95%), S (14.66%)

Molar Mass: 218.65

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 217.980443
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RKSPUXNPAQVIRM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.89
Topological Polar Surface Area 54.37
Polarizability 20.01
Ring Count 2
Rotatable Bond Count 0

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95% <2 Days 1353878-07-5 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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