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3,3'-bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-dicarboxylic acid

3,3'-bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-dicarboxylic acid

Formula: C16H8F6O4

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

IUPAC: 3,3'-bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-dicarboxylic acid

InChI: InChI=1S/C16H8F6O4/c17-15(18,19)11-5-7(1-3-9(11)13(23)24)8-2-4-10(14(25)26)12(6-8)16(20,21)22/h1-6H,(H,23,24)(H,25,26)

Composition: C (50.81%), H (2.13%), F (30.14%), O (16.92%)

Molar Mass: 378.226

Atom Count: 34

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 378.032677716
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SLGHUURPYNJHJN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.65
Topological Polar Surface Area 74.6
Polarizability 28.54
Ring Count 2
Rotatable Bond Count 5

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