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7-fluoro-1H-indole-4-carboxylic acid

7-fluoro-1H-indole-4-carboxylic acid

Formula: C9H6FNO2

SMILES: OC(=O)C1=C2C=CNC2=C(F)C=C1

IUPAC: 7-fluoro-1H-indole-4-carboxylic acid

InChI: InChI=1S/C9H6FNO2/c10-7-2-1-6(9(12)13)5-3-4-11-8(5)7/h1-4,11H,(H,12,13)

Composition: C (60.34%), H (3.38%), F (10.60%), N (7.82%), O (17.86%)

Molar Mass: 179.15

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 179.0382566
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey AVFXTMVJWXIBHR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.62
Topological Polar Surface Area 53.09
Polarizability 17.54
Ring Count 2
Rotatable Bond Count 1

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