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5-(6-fluoropyridin-3-yl)benzene-1,3-dicarboxylic acid

5-(6-fluoropyridin-3-yl)benzene-1,3-dicarboxylic acid

Formula: C13H8FNO4

SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C1=CN=C(F)C=C1

IUPAC: 5-(6-fluoropyridin-3-yl)benzene-1,3-dicarboxylic acid

InChI: InChI=1S/C13H8FNO4/c14-11-2-1-7(6-15-11)8-3-9(12(16)17)5-10(4-8)13(18)19/h1-6H,(H,16,17)(H,18,19)

Composition: C (59.78%), H (3.09%), F (7.27%), N (5.36%), O (24.50%)

Molar Mass: 261.208

Atom Count: 27

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 261.043735905
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey JELBLHVLLKJSLK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.78
Topological Polar Surface Area 87.49
Polarizability 24.75
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula UnitPrice
98% <10 Days C13H8FNO4 Quote Only