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methyl 2'-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate

methyl 2'-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate

CAS: 1365273-05-7

Formula: C15H10F4O2

SMILES: COC(=O)C1=CC=C(C=C1)C1=CC=CC(=C1F)C(F)(F)F

IUPAC: methyl 2'-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate

InChI: InChI=1S/C15H10F4O2/c1-21-14(20)10-7-5-9(6-8-10)11-3-2-4-12(13(11)16)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 OMPDCRWASJBFQT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.41
Topological Polar Surface Area 26.3
Polarizability 26.44
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1365273-05-7 $680.80-$1,332.85$680.80$1,332.85
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