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(4Z)-4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione

(4Z)-4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione

Formula: C19H17ClN2O4

SMILES: COC1=CC(Cl)=CC(C=C2C(=O)NN(C2=O)C2=CC=C(C)C(C)=C2)=C1O

IUPAC: (4Z)-4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione

InChI: InChI=1S/C19H17ClN2O4/c1-10-4-5-14(6-11(10)2)22-19(25)15(18(24)21-22)8-12-7-13(20)9-16(26-3)17(12)23/h4-9,23H,1-3H3,(H,21,24)/b15-8-

Composition: C (61.21%), H (4.60%), Cl (9.51%), N (7.51%), O (17.17%)

Molar Mass: 372.81

Atom Count: 43

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 372.0876847
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DXUZMWJXBIHJFD-NVNXTCNLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.18
Topological Polar Surface Area 78.87
Polarizability 37.28
Ring Count 3
Rotatable Bond Count 3

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H17ClN2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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