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5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

Formula: C9H5ClN2O3

SMILES: OC(=O)C1=NOC(=N1)C1=C(Cl)C=CC=C1

IUPAC: 5-(2-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

InChI: InChI=1S/C9H5ClN2O3/c10-6-4-2-1-3-5(6)8-11-7(9(13)14)12-15-8/h1-4H,(H,13,14)

Composition: C (48.13%), H (2.24%), Cl (15.78%), N (12.47%), O (21.37%)

Molar Mass: 224.6

Atom Count: 20

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 223.9988697
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey OGSZRKMKBNNYTI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.5
Topological Polar Surface Area 76.22
Polarizability 20.08
Ring Count 2
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H5ClN2O3 $1,300.00-$1,800.00$1,300.00$1,460.00$1,800.00
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