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4-bromo-3-chloro-7-fluoro-1-benzothiophene-2-carboxylic acid

4-bromo-3-chloro-7-fluoro-1-benzothiophene-2-carboxylic acid

Formula: C9H3BrClFO2S

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

IUPAC: 4-bromo-3-chloro-7-fluoro-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C9H3BrClFO2S/c10-3-1-2-4(12)7-5(3)6(11)8(15-7)9(13)14/h1-2H,(H,13,14)

Composition: C (34.92%), H (0.98%), Br (25.81%), Cl (11.45%), F (6.14%), O (10.34%), S (10.36%)

Molar Mass: 309.53

Atom Count: 18

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 307.870969
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DJZGGQCRWHQJHC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.08
Topological Polar Surface Area 37.3
Polarizability 23.57
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 C9H3BrClFO2S $400.00-$4,136.00$400.00$2,200.00$4,136.00
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