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6-fluoro-4-methoxy-8-methylquinoline-2-carboxylic acid

6-fluoro-4-methoxy-8-methylquinoline-2-carboxylic acid

CAS: 1338661-72-5

Formula: C12H10FNO3

SMILES: COC1=C2C=C(F)C=C(C)C2=NC(=C1)C(O)=O

IUPAC: 6-fluoro-4-methoxy-8-methylquinoline-2-carboxylic acid

InChI: InChI=1S/C12H10FNO3/c1-6-3-7(13)4-8-10(17-2)5-9(12(15)16)14-11(6)8/h3-5H,1-2H3,(H,15,16)

Composition: C (61.28%), H (4.29%), F (8.08%), N (5.95%), O (20.41%)

Molar Mass: 235.214

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 235.064471349
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ISUWHMLYAJRUJF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.58
Topological Polar Surface Area 59.42
Polarizability 23.24
Ring Count 2
Rotatable Bond Count 2

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90% <2 Days 1338661-72-5 $51.35-$2,000.37$51.35$63.37$86.31$647.85$1,413.70$2,000.37
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