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4-bromo-5-fluoro-2,3-dimethyl-1H-indole-7-carboxylic acid

4-bromo-5-fluoro-2,3-dimethyl-1H-indole-7-carboxylic acid

CAS: 1912445-96-5

Formula: C11H9BrFNO2

SMILES: CC1=C(C)C2=C(Br)C(F)=CC(C(O)=O)=C2N1

IUPAC: 4-bromo-5-fluoro-2,3-dimethyl-1H-indole-7-carboxylic acid

InChI: InChI=1S/C11H9BrFNO2/c1-4-5(2)14-10-6(11(15)16)3-7(13)9(12)8(4)10/h3,14H,1-2H3,(H,15,16)

Composition: C (46.18%), H (3.17%), Br (27.93%), F (6.64%), N (4.90%), O (11.18%)

Molar Mass: 286.1

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 284.98007
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ZWCNWPFSOARSPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.43
Topological Polar Surface Area 53.09
Polarizability 23.96
Ring Count 2
Rotatable Bond Count 1

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