4-amino-3-iodo-5-(trifluoromethyl)benzonitrile

4-amino-3-iodo-5-(trifluoromethyl)benzonitrile

CAS: 62584-29-6

Formula: C8H4F3IN2

SMILES: NC1=C(I)C=C(C=C1C(F)(F)F)C#N

IUPAC: 4-amino-3-iodo-5-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C8H4F3IN2/c9-8(10,11)5-1-4(3-13)2-6(12)7(5)14/h1-2H,14H2

Composition: C (30.79%), H (1.29%), F (18.27%), I (40.67%), N (8.98%)

Molar Mass: 312.034

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	311.93713
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OYQJGMPKFMIKHB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.82
Topological Polar Surface Area	49.81
Polarizability	20.1
Ring Count	1
Rotatable Bond Count	1

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	62584-29-6		$258.75-$902.75$258.75$902.75