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3-chloro-1-benzothiophene-4,6,7-triol

3-chloro-1-benzothiophene-4,6,7-triol

Formula: C8H5ClO3S

SMILES: OC1=C2C(Cl)=CSC2=C(O)C(O)=C1

IUPAC: 3-chloro-1-benzothiophene-4,6,7-triol

InChI: InChI=1S/C8H5ClO3S/c9-3-2-13-8-6(3)4(10)1-5(11)7(8)12/h1-2,10-12H

Composition: C (44.35%), H (2.33%), Cl (16.36%), O (22.16%), S (14.80%)

Molar Mass: 216.64

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 215.9647929
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey ICXQTGVKAFBRPJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.15
Topological Polar Surface Area 60.69
Polarizability 20.26
Ring Count 2
Rotatable Bond Count 0

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C8H5ClO3S $2,200.00-$4,136.00$2,200.00$3,564.00$4,136.00
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