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methyl 4'-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate

methyl 4'-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate

CAS: 1365271-42-6

Formula: C15H10F4O2

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

IUPAC: methyl 4'-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate

InChI: InChI=1S/C15H10F4O2/c1-21-14(20)10-4-2-9(3-5-10)11-6-7-13(16)12(8-11)15(17,18)19/h2-8H,1H3

Composition: C (60.41%), H (3.38%), F (25.48%), O (10.73%)

Molar Mass: 298.237

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 298.061692214
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey FPIJQZDDAVVHKQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.41
Topological Polar Surface Area 26.3
Polarizability 26.43
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1365271-42-6 $680.80-$1,332.85$680.80$1,332.85
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