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(3Z)-5-{[1,1'-biphenyl]-4-yl}-3-[(5-bromofuran-2-yl)methylidene]furan-2-one

(3Z)-5-{[1,1'-biphenyl]-4-yl}-3-[(5-bromofuran-2-yl)methylidene]furan-2-one

Formula: C21H13BrO3

SMILES: BrC1=CC=C(O1)C=C1C=C(OC1=O)C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: (3Z)-5-{[1,1'-biphenyl]-4-yl}-3-[(5-bromofuran-2-yl)methylidene]-2,3-dihydrofuran-2-one

InChI: InChI=1S/C21H13BrO3/c22-20-11-10-18(24-20)12-17-13-19(25-21(17)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H/b17-12-

Composition: C (64.14%), H (3.33%), Br (20.32%), O (12.21%)

Molar Mass: 393.236

Atom Count: 38

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 392.004807
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AYQZFZGRFDMPKD-ATVHPVEESA-N
Lipinski's Rule of Five
Molar Refractivity 101.16
Topological Polar Surface Area 39.44
Polarizability 39.21
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H13BrO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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