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(4E)-4-({4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

(4E)-4-({4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

Formula: C24H17Cl2IN2O4

SMILES: COC1=CC(C=C2/C(=O)NN(C2=O)C2=CC=CC=C2)=CC(I)=C1OCC1=CC=C(Cl)C=C1Cl

IUPAC: (4E)-4-({4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

InChI: InChI=1S/C24H17Cl2IN2O4/c1-32-21-11-14(9-18-23(30)28-29(24(18)31)17-5-3-2-4-6-17)10-20(27)22(21)33-13-15-7-8-16(25)12-19(15)26/h2-12H,13H2,1H3,(H,28,30)/b18-9+

Composition: C (48.43%), H (2.88%), Cl (11.91%), I (21.32%), N (4.71%), O (10.75%)

Molar Mass: 595.21

Atom Count: 50

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 593.96101
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FLNRXKUBJOVVDL-GIJQJNRQSA-N
Lipinski's Rule of Five
Molar Refractivity 136.36
Topological Polar Surface Area 67.87
Polarizability 52.29
Ring Count 4
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H17Cl2IN2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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