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3-chloro-5,6,7-trifluoro-1-benzothiophene-2-carboxylic acid

3-chloro-5,6,7-trifluoro-1-benzothiophene-2-carboxylic acid

Formula: C9H2ClF3O2S

SMILES: OC(=O)C1=C(Cl)C2=CC(F)=C(F)C(F)=C2S1

IUPAC: 3-chloro-5,6,7-trifluoro-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C9H2ClF3O2S/c10-4-2-1-3(11)5(12)6(13)7(2)16-8(4)9(14)15/h1H,(H,14,15)

Composition: C (40.54%), H (0.76%), Cl (13.30%), F (21.38%), O (12.00%), S (12.02%)

Molar Mass: 266.62

Atom Count: 18

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 265.9416127
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HKZZPXGEBBCQAB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.89
Topological Polar Surface Area 37.3
Polarizability 20.22
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H2ClF3O2S $2,200.00-$4,136.00$2,200.00$4,136.00
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