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5-({3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

5-({3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

Formula: C18H11Cl2N3O6

SMILES: [O-][N+](=O)C1=CC=C(COC2=C(Cl)C=C(C=C3C(=O)NC(=O)NC3=O)C=C2Cl)C=C1

IUPAC: 5-({3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C18H11Cl2N3O6/c19-13-6-10(5-12-16(24)21-18(26)22-17(12)25)7-14(20)15(13)29-8-9-1-3-11(4-2-9)23(27)28/h1-7H,8H2,(H2,21,22,24,25,26)

Composition: C (49.56%), H (2.54%), Cl (16.25%), N (9.63%), O (22.01%)

Molar Mass: 436.2

Atom Count: 40

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 435.0024905
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey RHMGWTZRYQDTCU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.13
Topological Polar Surface Area 127.64
Polarizability 39.06
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H11Cl2N3O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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