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methyl 2-(2-chloroacetamido)-4-(4-fluorophenyl)thiophene-3-carboxylate

methyl 2-(2-chloroacetamido)-4-(4-fluorophenyl)thiophene-3-carboxylate

CAS: 519016-66-1

Formula: C14H11ClFNO3S

SMILES: COC(=O)C1=C(NC(=O)CCl)SC=C1C1=CC=C(F)C=C1

IUPAC: methyl 2-(2-chloroacetamido)-4-(4-fluorophenyl)thiophene-3-carboxylate

InChI: InChI=1S/C14H11ClFNO3S/c1-20-14(19)12-10(8-2-4-9(16)5-3-8)7-21-13(12)17-11(18)6-15/h2-5,7H,6H2,1H3,(H,17,18)

Composition: C (51.30%), H (3.38%), Cl (10.82%), F (5.80%), N (4.27%), O (14.64%), S (9.78%)

Molar Mass: 327.75

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 327.0132203
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CGQBNNFYYWPXPR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.32
Topological Polar Surface Area 55.4
Polarizability 30.83
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 519016-66-1 $202.14$202.14
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