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3'-(3,5-dicarboxyphenyl)-5'-nitro-[1,1'-biphenyl]-3,5-dicarboxylic acid

3'-(3,5-dicarboxyphenyl)-5'-nitro-[1,1'-biphenyl]-3,5-dicarboxylic acid

Formula: C22H13NO10

SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C1=CC(=CC(=C1)C1=CC(=CC(=C1)C(O)=O)C(O)=O)[N+]([O-])=O

IUPAC: 3'-(3,5-dicarboxyphenyl)-5'-nitro-[1,1'-biphenyl]-3,5-dicarboxylic acid

InChI: InChI=1S/C22H13NO10/c24-19(25)14-2-10(3-15(6-14)20(26)27)12-1-13(9-18(8-12)23(32)33)11-4-16(21(28)29)7-17(5-11)22(30)31/h1-9H,(H,24,25)(H,26,27)(H,28,29)(H,30,31)

Composition: C (58.55%), H (2.90%), N (3.10%), O (35.45%)

Molar Mass: 451.343

Atom Count: 46

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 451.053945623
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 4
InChIKey LXXNLOHNCJIIHT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.68
Topological Polar Surface Area 192.34
Polarizability 43.48
Ring Count 3
Rotatable Bond Count 7

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