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

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

CAS: 21211-20-1

Formula: C10H6ClFO2S

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

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

InChI: InChI=1S/C10H6ClFO2S/c1-14-10(13)9-8(11)6-3-2-5(12)4-7(6)15-9/h2-4H,1H3

Composition: C (49.09%), H (2.47%), Cl (14.49%), F (7.77%), O (13.08%), S (13.10%)

Molar Mass: 244.66

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 243.9761065
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GBCJKOYCWCNSAF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.23
Topological Polar Surface Area 26.3
Polarizability 22.59
Ring Count 2
Rotatable Bond Count 2

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