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4-{bis[4-(benzoyloxy)phenyl](bromo)methyl}phenyl benzoate

4-{bis[4-(benzoyloxy)phenyl](bromo)methyl}phenyl benzoate

CAS: 86610-66-4

Formula: C40H27BrO6

SMILES: BrC(C1=CC=C(OC(=O)C2=CC=CC=C2)C=C1)(C1=CC=C(OC(=O)C2=CC=CC=C2)C=C1)C1=CC=C(OC(=O)C2=CC=CC=C2)C=C1

IUPAC: 4-{bis[4-(benzoyloxy)phenyl](bromo)methyl}phenyl benzoate

InChI: InChI=1S/C40H27BrO6/c41-40(31-16-22-34(23-17-31)45-37(42)28-10-4-1-5-11-28,32-18-24-35(25-19-32)46-38(43)29-12-6-2-7-13-29)33-20-26-36(27-21-33)47-39(44)30-14-8-3-9-15-30/h1-27H

Composition: C (70.29%), H (3.98%), Br (11.69%), O (14.04%)

Molar Mass: 683.554

Atom Count: 74

Heavy Atom Count: 47

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 682.099102
Formal Charge 0
FSP3 0.02
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PKXTVZCJOBWKIG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 184.75
Topological Polar Surface Area 78.9
Polarizability 70.36
Ring Count 6
Rotatable Bond Count 12

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