5-bromo-6-fluoro-1H-indole-3-carboxylic acid

5-bromo-6-fluoro-1H-indole-3-carboxylic acid

CAS: 1638772-16-3

Formula: C9H5BrFNO2

SMILES: OC(=O)C1=CNC2=CC(F)=C(Br)C=C12

IUPAC: 5-bromo-6-fluoro-1H-indole-3-carboxylic acid

InChI: InChI=1S/C9H5BrFNO2/c10-6-1-4-5(9(13)14)3-12-8(4)2-7(6)11/h1-3,12H,(H,13,14)

Composition: C (41.89%), H (1.95%), Br (30.96%), F (7.36%), N (5.43%), O (12.40%)

Molar Mass: 258.046

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.94877
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XYRQPMBDXWHGMG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.24
Topological Polar Surface Area	53.09
Polarizability	20.5
Ring Count	2
Rotatable Bond Count	1

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