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3,4-dichloro-6-fluoro-1-benzothiophene-2-carboxylic acid

3,4-dichloro-6-fluoro-1-benzothiophene-2-carboxylic acid

Formula: C9H3Cl2FO2S

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

IUPAC: 3,4-dichloro-6-fluoro-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C9H3Cl2FO2S/c10-4-1-3(12)2-5-6(4)7(11)8(15-5)9(13)14/h1-2H,(H,13,14)

Composition: C (40.78%), H (1.14%), Cl (26.75%), F (7.17%), O (12.07%), S (12.09%)

Molar Mass: 265.08

Atom Count: 18

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 263.9214841
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZNGGQQGUEUQHKV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.26
Topological Polar Surface Area 37.3
Polarizability 22.51
Ring Count 2
Rotatable Bond Count 1

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H3Cl2FO2S $406.00-$4,136.00$406.00$2,200.00$4,136.00
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