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5-[(5-bromo-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

5-[(5-bromo-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Formula: C13H8BrN3O3

SMILES: BrC1=CC=C2NC=C(C=C3C(=O)NC(=O)NC3=O)C2=C1

IUPAC: 5-[(5-bromo-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C13H8BrN3O3/c14-7-1-2-10-8(4-7)6(5-15-10)3-9-11(18)16-13(20)17-12(9)19/h1-5,15H,(H2,16,17,18,19,20)

Composition: C (46.73%), H (2.41%), Br (23.91%), N (12.58%), O (14.36%)

Molar Mass: 334.129

Atom Count: 28

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 332.974904
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey KQVPKVGGMGVLLT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.83
Topological Polar Surface Area 91.06
Polarizability 29.11
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H8BrN3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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