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5-fluoroquinoline-3-carboxylic acid

5-fluoroquinoline-3-carboxylic acid

CAS: 1416439-57-0

Formula: C10H6FNO2

SMILES: OC(=O)C1=CC2=C(F)C=CC=C2N=C1

IUPAC: 5-fluoroquinoline-3-carboxylic acid

InChI: InChI=1S/C10H6FNO2/c11-8-2-1-3-9-7(8)4-6(5-12-9)10(13)14/h1-5H,(H,13,14)

Composition: C (62.83%), H (3.16%), F (9.94%), N (7.33%), O (16.74%)

Molar Mass: 191.161

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 191.0382566
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XQTAMMFETWWSQG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.45
Topological Polar Surface Area 50.19
Polarizability 18.94
Ring Count 2
Rotatable Bond Count 1

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