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methyl 6-fluoro-3-methyl-1-benzothiophene-2-carboxylate

methyl 6-fluoro-3-methyl-1-benzothiophene-2-carboxylate

CAS: 863119-54-4

Formula: C11H9FO2S

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

IUPAC: methyl 6-fluoro-3-methyl-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C11H9FO2S/c1-6-8-4-3-7(12)5-9(8)15-10(6)11(13)14-2/h3-5H,1-2H3

Composition: C (58.92%), H (4.05%), F (8.47%), O (14.27%), S (14.30%)

Molar Mass: 224.25

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.030728867
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QLXAVQNSGQZFPE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.47
Topological Polar Surface Area 26.3
Polarizability 22.37
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 863119-54-4 $966.00-$6,762.00$966.00$1,817.00$6,762.00
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