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(5E)-5-({3-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)imidazolidine-2,4-dione

(5E)-5-({3-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)imidazolidine-2,4-dione

Formula: C19H16ClN3O6

SMILES: CCOC1=CC(C=C2NC(=O)NC2=O)=CC(Cl)=C1OCC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: (5E)-5-({3-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)imidazolidine-2,4-dione

InChI: InChI=1S/C19H16ClN3O6/c1-2-28-16-9-12(8-15-18(24)22-19(25)21-15)7-14(20)17(16)29-10-11-3-5-13(6-4-11)23(26)27/h3-9H,2,10H2,1H3,(H2,21,22,24,25)/b15-8+

Composition: C (54.62%), H (3.86%), Cl (8.48%), N (10.06%), O (22.98%)

Molar Mass: 417.8

Atom Count: 45

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 417.0727629
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey NHBPXALMWFQPGC-OVCLIPMQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.14
Topological Polar Surface Area 119.8
Polarizability 39.5
Ring Count 3
Rotatable Bond Count 7

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H16ClN3O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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