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2,2,2-trichloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide

2,2,2-trichloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide

Formula: C15H8Cl3IN2O2

SMILES: ClC(Cl)(Cl)C(=O)NC1=CC=C2OC(=NC2=C1)C1=CC=C(I)C=C1

IUPAC: 2,2,2-trichloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide

InChI: InChI=1S/C15H8Cl3IN2O2/c16-15(17,18)14(22)20-10-5-6-12-11(7-10)21-13(23-12)8-1-3-9(19)4-2-8/h1-7H,(H,20,22)

Composition: C (37.42%), H (1.67%), Cl (22.09%), I (26.36%), N (5.82%), O (6.65%)

Molar Mass: 481.5

Atom Count: 31

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 479.86961
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PXWPHAMOMUIQEO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 111.56
Topological Polar Surface Area 55.13
Polarizability 39.74
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H8Cl3IN2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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