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ethyl 5-(6-chloropyridine-3-carbonyl)thiophene-2-carboxylate

ethyl 5-(6-chloropyridine-3-carbonyl)thiophene-2-carboxylate

CAS: 890100-50-2

Formula: C13H10ClNO3S

SMILES: CCOC(=O)C1=CC=C(S1)C(=O)C1=CC=C(Cl)N=C1

IUPAC: ethyl 5-(6-chloropyridine-3-carbonyl)thiophene-2-carboxylate

InChI: InChI=1S/C13H10ClNO3S/c1-2-18-13(17)10-5-4-9(19-10)12(16)8-3-6-11(14)15-7-8/h3-7H,2H2,1H3

Composition: C (52.80%), H (3.41%), Cl (11.99%), N (4.74%), O (16.23%), S (10.84%)

Molar Mass: 295.74

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 295.0069921
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QBGAKOUKIDPSPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.79
Topological Polar Surface Area 56.26
Polarizability 28.05
Ring Count 2
Rotatable Bond Count 5

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 890100-50-2 $798.10-$2,342.55$798.10$1,177.60$2,342.55
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