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3-chloro-5-fluoropyridine-4-carboxylic acid

3-chloro-5-fluoropyridine-4-carboxylic acid

CAS: 514798-03-9

Formula: C6H3ClFNO2

SMILES: OC(=O)C1=C(F)C=NC=C1Cl

IUPAC: 3-chloro-5-fluoropyridine-4-carboxylic acid

InChI: InChI=1S/C6H3ClFNO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)

Composition: C (41.05%), H (1.72%), Cl (20.19%), F (10.82%), N (7.98%), O (18.23%)

Molar Mass: 175.54

Atom Count: 14

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 174.9836342
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey APKYTXKVPCYUOG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.18
Topological Polar Surface Area 50.19
Polarizability 13.64
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 514798-03-9 $48.65-$139.73$48.65$68.31$139.73
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98% <5 Days 514798-03-9 $279.94-$2,696.02$279.94$403.52$593.93$2,696.02
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