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(5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

(5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

Formula: C21H12BrClN2O4

SMILES: ClC1=CC=C(C=C1)N1C(=O)NC(=O)C(=CC2=CC=C(O2)C2=CC=CC(Br)=C2)C1=O

IUPAC: (5Z)-5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C21H12BrClN2O4/c22-13-3-1-2-12(10-13)18-9-8-16(29-18)11-17-19(26)24-21(28)25(20(17)27)15-6-4-14(23)5-7-15/h1-11H,(H,24,26,28)/b17-11-

Composition: C (53.47%), H (2.56%), Br (16.94%), Cl (7.52%), N (5.94%), O (13.57%)

Molar Mass: 471.69

Atom Count: 41

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 469.966898
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OTDZQUOUJKSSEZ-BOPFTXTBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.63
Topological Polar Surface Area 79.62
Polarizability 43.12
Ring Count 4
Rotatable Bond Count 3

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H12BrClN2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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