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3-(3-bromophenyl)-5-(3,4-dichlorophenyl)-3a,6a-dihydro-3H-spiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

3-(3-bromophenyl)-5-(3,4-dichlorophenyl)-3a,6a-dihydro-3H-spiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

Formula: C26H14BrCl2NO5

SMILES: ClC1=CC=C(C=C1Cl)N1C(=O)C2C(OC3(C2C1=O)C(=O)C1=C(C=CC=C1)C3=O)C1=CC(Br)=CC=C1

IUPAC: 3-(3-bromophenyl)-5-(3,4-dichlorophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

InChI: InChI=1/C26H14BrCl2NO5/c27-13-5-3-4-12(10-13)21-19-20(25(34)30(24(19)33)14-8-9-17(28)18(29)11-14)26(35-21)22(31)15-6-1-2-7-16(15)23(26)32/h1-11,19-21H

Composition: C (54.67%), H (2.47%), Br (13.99%), Cl (12.41%), N (2.45%), O (14.00%)

Molar Mass: 571.2

Atom Count: 49

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 3
Exact Mass 568.943241
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey DWBDWVBAHRGQST-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 131.26
Topological Polar Surface Area 80.75
Polarizability 50.83
Ring Count 6
Rotatable Bond Count 2

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H14BrCl2NO5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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