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4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarboxylic acid

4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarboxylic acid

CAS: 3016-76-0

Formula: C19H10F6O8

SMILES: OC(=O)C1=CC=C(C=C1C(O)=O)C(C1=CC=C(C(O)=O)C(=C1)C(O)=O)(C(F)(F)F)C(F)(F)F

IUPAC: 4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarboxylic acid

InChI: InChI=1S/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)

Composition: C (47.52%), H (2.10%), F (23.73%), O (26.65%)

Molar Mass: 480.271

Atom Count: 43

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 480.02798626
Formal Charge 0
FSP3 0.16
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey APXJLYIVOFARRM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.2
Topological Polar Surface Area 149.2
Polarizability 34.24
Ring Count 2
Rotatable Bond Count 8

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Purity LeadTime CAS UnitPrice
99% <10 Days 3016-76-0 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 3016-76-0 $31.53-$170.24$31.53$41.61$58.01$68.09$170.24
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