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3-(2-chlorobenzamido)thiophene-2-carboxylic acid

3-(2-chlorobenzamido)thiophene-2-carboxylic acid

CAS: 439111-81-6

Formula: C12H8ClNO3S

SMILES: OC(=O)C1=C(NC(=O)C2=C(Cl)C=CC=C2)C=CS1

IUPAC: 3-(2-chlorobenzamido)thiophene-2-carboxylic acid

InChI: InChI=1S/C12H8ClNO3S/c13-8-4-2-1-3-7(8)11(15)14-9-5-6-18-10(9)12(16)17/h1-6H,(H,14,15)(H,16,17)

Composition: C (51.16%), H (2.86%), Cl (12.58%), N (4.97%), O (17.04%), S (11.38%)

Molar Mass: 281.71

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 280.991342
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey DFOQJQLRPKSGPU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.54
Topological Polar Surface Area 66.4
Polarizability 25.94
Ring Count 2
Rotatable Bond Count 3

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 439111-81-6 $51.35-$225.06$51.35$63.37$86.31$225.06
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