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3-chloro-5-(ethoxycarbonyl)pyridine-2-carboxylic acid

3-chloro-5-(ethoxycarbonyl)pyridine-2-carboxylic acid

CAS: 1200497-77-3

Formula: C9H8ClNO4

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

IUPAC: 3-chloro-5-(ethoxycarbonyl)pyridine-2-carboxylic acid

InChI: InChI=1S/C9H8ClNO4/c1-2-15-9(14)5-3-6(10)7(8(12)13)11-4-5/h3-4H,2H2,1H3,(H,12,13)

Composition: C (47.08%), H (3.51%), Cl (15.44%), N (6.10%), O (27.87%)

Molar Mass: 229.62

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 229.0141854
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZPFBWRGNNLLCMD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.36
Topological Polar Surface Area 76.49
Polarizability 20.13
Ring Count 1
Rotatable Bond Count 4

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97% <2 Days 1200497-77-3 $51.35-$823.75$51.35$63.37$86.31$524.40$823.75
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