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3-chloro-3'-fluoro-[1,1'-biphenyl]-4,4'-dicarboxylic acid

3-chloro-3'-fluoro-[1,1'-biphenyl]-4,4'-dicarboxylic acid

CAS: 1261964-19-5

Formula: C14H8ClFO4

SMILES: OC(=O)C1=CC=C(C=C1F)C1=CC=C(C(O)=O)C(Cl)=C1

IUPAC: 3-chloro-3'-fluoro-[1,1'-biphenyl]-4,4'-dicarboxylic acid

InChI: InChI=1S/C14H8ClFO4/c15-11-5-7(1-3-9(11)13(17)18)8-2-4-10(14(19)20)12(16)6-8/h1-6H,(H,17,18)(H,19,20)

Composition: C (57.07%), H (2.74%), Cl (12.03%), F (6.45%), O (21.72%)

Molar Mass: 294.66

Atom Count: 28

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 294.0095146
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MFEASKHAYHUMIN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.73
Topological Polar Surface Area 74.6
Polarizability 27.56
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1261964-19-5 $409.40-$1,386.90$409.40$1,386.90
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