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2-[4-(4-bromobenzoyloxy)phenyl]-2-oxoethyl 1-benzamido-5-oxopyrrolidine-3-carboxylate

2-[4-(4-bromobenzoyloxy)phenyl]-2-oxoethyl 1-benzamido-5-oxopyrrolidine-3-carboxylate

Formula: C27H21BrN2O7

SMILES: BrC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C(=O)COC(=O)C1CN(NC(=O)C2=CC=CC=C2)C(=O)C1

IUPAC: 2-[4-(4-bromobenzoyloxy)phenyl]-2-oxoethyl 1-benzamido-5-oxopyrrolidine-3-carboxylate

InChI: InChI=1/C27H21BrN2O7/c28-21-10-6-19(7-11-21)27(35)37-22-12-8-17(9-13-22)23(31)16-36-26(34)20-14-24(32)30(15-20)29-25(33)18-4-2-1-3-5-18/h1-13,20H,14-16H2,(H,29,33)

Composition: C (57.36%), H (3.74%), Br (14.13%), N (4.95%), O (19.81%)

Molar Mass: 565.376

Atom Count: 58

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 564.053214
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey VEXVEXSIVTUNNJ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 135.98
Topological Polar Surface Area 119.08
Polarizability 51.99
Ring Count 4
Rotatable Bond Count 10

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H21BrN2O7 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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