5-bromo-3-iodo-6-(trifluoromethyl)-1H-indole

5-bromo-3-iodo-6-(trifluoromethyl)-1H-indole

CAS: 1420537-61-6

Formula: C9H4BrF3IN

SMILES: FC(F)(F)C1=C(Br)C=C2C(I)=CNC2=C1

IUPAC: 5-bromo-3-iodo-6-(trifluoromethyl)-1H-indole

InChI: InChI=1S/C9H4BrF3IN/c10-6-1-4-7(14)3-15-8(4)2-5(6)9(11,12)13/h1-3,15H

Composition: C (27.72%), H (1.03%), Br (20.49%), F (14.62%), I (32.54%), N (3.59%)

Molar Mass: 389.942

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	388.85239
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
InChIKey	IOLMLBNUXBFHMS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.1
Topological Polar Surface Area	15.79
Polarizability	25.14
Ring Count	2
Rotatable Bond Count	1

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1420537-61-6		$51.35-$598.69$51.35$63.37$86.31$374.73$598.69