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6-chloro-7-fluoro-1H-indole-2-carboxylic acid

6-chloro-7-fluoro-1H-indole-2-carboxylic acid

CAS: 259860-07-6

Formula: C9H5ClFNO2

SMILES: OC(=O)C1=CC2=CC=C(Cl)C(F)=C2N1

IUPAC: 6-chloro-7-fluoro-1H-indole-2-carboxylic acid

InChI: InChI=1S/C9H5ClFNO2/c10-5-2-1-4-3-6(9(13)14)12-8(4)7(5)11/h1-3,12H,(H,13,14)

Composition: C (50.61%), H (2.36%), Cl (16.60%), F (8.89%), N (6.56%), O (14.98%)

Molar Mass: 213.59

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 212.9992843
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey HRXULQOUYMZDIV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.3
Topological Polar Surface Area 53.09
Polarizability 19.51
Ring Count 2
Rotatable Bond Count 1

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