(2E)-3-(4-bromo-5-iodofuran-2-yl)-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide

(2E)-3-(4-bromo-5-iodofuran-2-yl)-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide

Formula: C16H12BrIN2O2

SMILES: CC1=C(C)C(NC(=O)C(=CC2=CC(Br)=C(I)O2)C#N)=CC=C1

IUPAC: (2E)-3-(4-bromo-5-iodofuran-2-yl)-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide

InChI: InChI=1S/C16H12BrIN2O2/c1-9-4-3-5-14(10(9)2)20-16(21)11(8-19)6-12-7-13(17)15(18)22-12/h3-7H,1-2H3,(H,20,21)/b11-6+

Composition: C (40.79%), H (2.57%), Br (16.96%), I (26.94%), N (5.95%), O (6.79%)

Molar Mass: 471.092

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	469.91269
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FYWXARONAGYWPW-IZZDOVSWSA-N
Lipinski's Rule of Five
Molar Refractivity	98.15
Topological Polar Surface Area	66.03
Polarizability	36.74
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12BrIN2O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00