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4'-phosphono-[1,1'-biphenyl]-4-ylphosphonic acid

4'-phosphono-[1,1'-biphenyl]-4-ylphosphonic acid

CAS: 13817-79-3

Formula: C12H12O6P2

SMILES: OP(O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)P(O)(O)=O

IUPAC: {4'-phosphono-[1,1'-biphenyl]-4-yl}phosphonic acid

InChI: InChI=1S/C12H12O6P2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H2,13,14,15)(H2,16,17,18)

Composition: C (45.88%), H (3.85%), O (30.55%), P (19.72%)

Molar Mass: 314.17

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 314.010912102
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey QWSZMKCGMDROKE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.57
Topological Polar Surface Area 115.06
Polarizability 29.63
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 13817-79-3 $241.50-$424.35$241.50$312.80$424.35
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