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6-fluoroisoquinoline-1-carboxylic acid

6-fluoroisoquinoline-1-carboxylic acid

CAS: 1179149-37-1

Formula: C10H6FNO2

SMILES: OC(=O)C1=C2C=CC(F)=CC2=CC=N1

IUPAC: 6-fluoroisoquinoline-1-carboxylic acid

InChI: InChI=1S/C10H6FNO2/c11-7-1-2-8-6(5-7)3-4-12-9(8)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 FBTAZJOMYWXIER-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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98% <5 Days 1179149-37-1 $220.68-$350.56$220.68$350.56
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