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methyl 2-[2-(4-chlorophenyl)acetamido]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[2-(4-chlorophenyl)acetamido]-4,5-dimethylthiophene-3-carboxylate

Formula: C16H16ClNO3S

SMILES: COC(=O)C1=C(NC(=O)CC2=CC=C(Cl)C=C2)SC(C)=C1C

IUPAC: methyl 2-[2-(4-chlorophenyl)acetamido]-4,5-dimethylthiophene-3-carboxylate

InChI: InChI=1S/C16H16ClNO3S/c1-9-10(2)22-15(14(9)16(20)21-3)18-13(19)8-11-4-6-12(17)7-5-11/h4-7H,8H2,1-3H3,(H,18,19)

Composition: C (56.89%), H (4.77%), Cl (10.49%), N (4.15%), O (14.21%), S (9.49%)

Molar Mass: 337.82

Atom Count: 38

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 337.0539423
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LEEHDCIQTKOFHY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 88.84
Topological Polar Surface Area 55.4
Polarizability 33.34
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16ClNO3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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