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

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

CAS: 1186404-83-0

Formula: C10H4BrF3N2

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

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

InChI: InChI=1S/C10H4BrF3N2/c11-8-4-16-9-2-7(10(12,13)14)5(3-15)1-6(8)9/h1-2,4,16H

Composition: C (41.55%), H (1.39%), Br (27.64%), F (19.72%), N (9.69%)

Molar Mass: 289.055

Atom Count: 20

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	287.950996
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	BVMAIEYRGNKDNF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.46
Topological Polar Surface Area	39.58
Polarizability	21.45
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1186404-83-0		$51.35-$598.69$51.35$63.37$86.31$374.73$598.69