2-amino-4-fluoro-5-iodobenzonitrile

2-amino-4-fluoro-5-iodobenzonitrile

CAS: 1352457-22-7

Formula: C7H4FIN2

SMILES: NC1=C(C=C(I)C(F)=C1)C#N

IUPAC: 2-amino-4-fluoro-5-iodobenzonitrile

InChI: InChI=1S/C7H4FIN2/c8-5-2-7(11)4(3-10)1-6(5)9/h1-2H,11H2

Composition: C (32.09%), H (1.54%), F (7.25%), I (48.43%), N (10.69%)

Molar Mass: 262.026

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.94032
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VUNDJSKYNLJJHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.06
Topological Polar Surface Area	49.81
Polarizability	18.39
Ring Count	1
Rotatable Bond Count	0

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1352457-22-7		$201.25-$914.25$201.25$287.50$914.25