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4-({4-[bis(4-carboxyphenyl)amino]phenyl}(4-carboxyphenyl)amino)benzoic acid

4-({4-[bis(4-carboxyphenyl)amino]phenyl}(4-carboxyphenyl)amino)benzoic acid

CAS: 873655-81-3

Formula: C34H24N2O8

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

IUPAC: 4-({4-[bis(4-carboxyphenyl)amino]phenyl}(4-carboxyphenyl)amino)benzoic acid

InChI: InChI=1S/C34H24N2O8/c37-31(38)21-1-9-25(10-2-21)35(26-11-3-22(4-12-26)32(39)40)29-17-19-30(20-18-29)36(27-13-5-23(6-14-27)33(41)42)28-15-7-24(8-16-28)34(43)44/h1-20H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)

Composition: C (69.38%), H (4.11%), N (4.76%), O (21.75%)

Molar Mass: 588.572

Atom Count: 68

Heavy Atom Count: 44

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 588.153265741
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 4
InChIKey UBNQFWCYYJTPNA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 161.4
Topological Polar Surface Area 155.68
Polarizability 60.28
Ring Count 5
Rotatable Bond Count 10

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Purity LeadTime CAS UnitPrice
98% <10 Days 873655-81-3 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 873655-81-3 $81.97-$1,288.74$81.97$121.06$310.21$1,288.74
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