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3'-bromo-5'-(4-carboxyphenyl)-[1,1'-biphenyl]-4-carboxylic acid

3'-bromo-5'-(4-carboxyphenyl)-[1,1'-biphenyl]-4-carboxylic acid

Formula: C20H13BrO4

SMILES: OC(=O)C1=CC=C(C=C1)C1=CC(=CC(Br)=C1)C1=CC=C(C=C1)C(O)=O

IUPAC: 3'-bromo-5'-(4-carboxyphenyl)-[1,1'-biphenyl]-4-carboxylic acid

InChI: InChI=1S/C20H13BrO4/c21-18-10-16(12-1-5-14(6-2-12)19(22)23)9-17(11-18)13-3-7-15(8-4-13)20(24)25/h1-11H,(H,22,23)(H,24,25)

Composition: C (60.47%), H (3.30%), Br (20.12%), O (16.11%)

Molar Mass: 397.224

Atom Count: 38

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 395.999722
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SJPCRNBUFAEKHO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 98.47
Topological Polar Surface Area 74.6
Polarizability 39.53
Ring Count 3
Rotatable Bond Count 4

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