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2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(4-methylphenyl)acetamide

2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(4-methylphenyl)acetamide

CAS: 553630-09-4

Formula: C18H18INO4

SMILES: CCOC1=CC(C=O)=CC(I)=C1OCC(=O)NC1=CC=C(C)C=C1

IUPAC: 2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(4-methylphenyl)acetamide

InChI: InChI=1S/C18H18INO4/c1-3-23-16-9-13(10-21)8-15(19)18(16)24-11-17(22)20-14-6-4-12(2)5-7-14/h4-10H,3,11H2,1-2H3,(H,20,22)

Composition: C (49.22%), H (4.13%), I (28.89%), N (3.19%), O (14.57%)

Molar Mass: 439.249

Atom Count: 42

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 439.02805
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PUXDCTHJHMWUQB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.08
Topological Polar Surface Area 64.63
Polarizability 38.64
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 553630-09-4 $39.00$39.00
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