4-[(1E)-2-cyano-2-[(3-iodophenyl)carbamoyl]eth-1-en-1-yl]phenyl acetate

4-[(1E)-2-cyano-2-[(3-iodophenyl)carbamoyl]eth-1-en-1-yl]phenyl acetate

Formula: C18H13IN2O3

SMILES: CC(=O)OC1=CC=C(C=C(/C#N)C(=O)NC2=CC=CC(I)=C2)C=C1

IUPAC: 4-[(1E)-2-cyano-2-[(3-iodophenyl)carbamoyl]eth-1-en-1-yl]phenyl acetate

InChI: InChI=1S/C18H13IN2O3/c1-12(22)24-17-7-5-13(6-8-17)9-14(11-20)18(23)21-16-4-2-3-15(19)10-16/h2-10H,1H3,(H,21,23)/b14-9+

Composition: C (50.02%), H (3.03%), I (29.36%), N (6.48%), O (11.10%)

Molar Mass: 432.217

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	431.99709
Formal Charge	0
FSP3	0.06
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CXKZRMHFYJCCEJ-NTEUORMPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.89
Topological Polar Surface Area	79.19
Polarizability	37.63
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H13IN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00